[(5-Chloro-pyridin-2-ylamino)-phosphono-methyl]-phosphonic acid , CAS No.70010-82-1

CAS: 70010-82-1 Cat. No.: C668268 Molecular Weight: 302.54
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Synonyms
UIQ69AB4DJ | UNII-UIQ69AB4DJ | [(5-CHLORO-PYRIDIN-2-YLAMINO)-PHOSPHONO-METHYL]-PHOSPHONIC ACID | [{(5-CHLORO-2-PYRIDINYL)AMINO} METHYLENE]-1,1-BISPHOSPHONATE | NSC 722618 | NSC-722618 | [[(5-chloro-2-pyridinyl)amino]methylene]-1,1-bisphosphonate | (((5-Ch
Storage
Room temperature
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1mg
C668268-1mg
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5mg
C668268-5mg
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$1,999.90

$2,999.90
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Why this grade

for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
UIQ69AB4DJ | UNII-UIQ69AB4DJ | [(5-CHLORO-PYRIDIN-2-YLAMINO)-PHOSPHONO-METHYL]-PHOSPHONIC ACID | [{(5-CHLORO-2-PYRIDINYL)AMINO} METHYLENE]-1, 1-BISPHOSPHONATE | NSC 722618 | NSC-722618 | [[(5-chloro-2-pyridinyl)amino]methylene]-1, 1-bisphosphonate | (((5-Ch
Storage
Room temperature
Product Properties
ALogP-1.6
Names and Identifiers
Canonical SmilesC1=CC(=NC=C1Cl)NC(P(=O)(O)O)P(=O)(O)O
IUPAC Name[[(5-chloropyridin-2-yl)amino]-phosphonomethyl]phosphonic acid
InChIKeyBNMYZGAZFGNKTH-UHFFFAOYSA-N
INCHI1S/C6H9ClN2O6P2/c7-4-1-2-5(8-3-4)9-6(16(10,11)12)17(13,14)15/h1-3,6H,(H,8,9)(H2,10,11,12)(H2,13,14,15)
Isomeric SMILES C1=CC(=NC=C1Cl)NC(P(=O)(O)O)P(=O)(O)O
Molecular Weight 302.54
Reaxy-Rn 8562204
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8562204&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

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✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganic acids and derivatives
ClassOrganic phosphonic acids and derivatives
SubclassBisphosphonates
Intermediate Tree Nodes Not available
Direct ParentBisphosphonates
Alternative Parents Secondary alkylarylamines  Pyridines and derivatives  Imidolactams  Aryl chlorides  Organic phosphonic acids  Heteroaromatic compounds  Azacyclic compounds  Organopnictogen compounds  Organophosphorus compounds  Organochlorides  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents Bisphosphonate - Secondary aliphatic/aromatic amine - Aryl chloride - Aryl halide - Pyridine - Imidolactam - Organophosphonic acid - Heteroaromatic compound - Secondary amine - Organoheterocyclic compound - Azacycle - Hydrocarbon derivative - Organic oxide - Organophosphorus compound - Organonitrogen compound - Organochloride - Amine - Organohalogen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as bisphosphonates. These are organic compounds containing two phosphonate groups linked together through a carbon atoms.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
FDPS Tclin Farnesyl pyrophosphate synthase (3 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
FDFT1 Tchem Squalene synthase (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
FDPS Tclin Farnesyl diphosphate synthase (1240 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
GLUL Tchem Glutamine synthetase (118 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
KB (17409 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Fdft1 Squalene synthetase (34 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
dxr 1-deoxyxylulose-5-phosphate reductoisomerase (147 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Escherichia coli (133304 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Entamoeba histolytica (2676 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Plasmodium falciparum (966862 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Rattus norvegicus (775804 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Trypanosoma brucei rhodesiense (7991 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
dxr 1-deoxy-D-xylulose 5-phosphate reductoisomerase (191 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
Molecular Weight302.540 g/mol
XLogP3-1.600
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Exact Mass301.962 Da
Monoisotopic Mass301.962 Da
Topological Polar Surface Area140.000 Ų
Heavy Atom Count17
Formal Charge0
Complexity334.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Solution Calculators
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