4-fluoro-N-(3-pyridinyl)benzamide , CAS No.120737-99-7

CAS: 120737-99-7 Cat. No.: F668600 Molecular Weight: 216.21
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Synonyms
4-fluoro-N-(3-pyridinyl)benzamide | 4-fluoro-N-(pyridin-3-yl)benzamide | 4-fluoro-N-pyridin-3-ylbenzamide | 4-Fluoro-N-pyridin-3-yl-benzamide | Fpm_N | Fpm_O | BAS 00628514 | Oprea1_010781 | Oprea1_842984 | MLS000529057 | ZTZ252 | CHEBI:93337 | AILCVPMYLX
Storage
Room temperature
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1mg
F668600-1mg
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$571.90

$999.90
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5mg
F668600-5mg
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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
4-fluoro-N-(3-pyridinyl)benzamide | 4-fluoro-N-(pyridin-3-yl)benzamide | 4-fluoro-N-pyridin-3-ylbenzamide | 4-Fluoro-N-pyridin-3-yl-benzamide | Fpm_N | Fpm_O | BAS 00628514 | Oprea1_010781 | Oprea1_842984 | MLS000529057 | ZTZ252 | CHEBI:93337 | AILCVPMYLX
Storage
Room temperature
Product Properties
ALogP2.2
Names and Identifiers
Canonical SmilesC1=CC(=CN=C1)NC(=O)C2=CC=C(C=C2)F
IUPAC Name4-fluoro-N-pyridin-3-ylbenzamide
InChIKeyAILCVPMYLXWTCO-UHFFFAOYSA-N
INCHI1S/C12H9FN2O/c13-10-5-3-9(4-6-10)12(16)15-11-2-1-7-14-8-11/h1-8H,(H,15,16)
Isomeric SMILES C1=CC(=CN=C1)NC(=O)C2=CC=C(C=C2)F
Molecular Weight 216.21
Reaxy-Rn 8481940
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8481940&ln=

Documentation

📋 Safety Data Sheet (SDS)

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

Download SDS →

✅ 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
SuperclassBenzenoids
ClassBenzene and substituted derivatives
SubclassBenzoic acids and derivatives
Intermediate Tree Nodes Halobenzoic acids and derivatives
Direct Parent4-halobenzoic acids and derivatives
Alternative Parents Benzamides  Benzoyl derivatives  Fluorobenzenes  Pyridines and derivatives  Aryl fluorides  Heteroaromatic compounds  Secondary carboxylic acid amides  Azacyclic compounds  Organopnictogen compounds  Organooxygen compounds  Organonitrogen compounds  Organofluorides  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents 4-halobenzoic acid or derivatives - Benzamide - Benzoyl - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Pyridine - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Organoheterocyclic compound - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as 4-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 4-position of the benzene ring.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
CYP11B2 Tchem Cytochrome P450 11B2, mitochondrial (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
CYP19A1 Tclin Cytochrome P450 19A1 (6099 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP11B1 Tclin Cytochrome P450 11B1 (1750 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CYP17A1 Tclin Cytochrome P450 17A1 (3627 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
APEX1 Tchem DNA-(apurinic or apyrimidinic site) lyase (38016 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Cyp11b2 Cytochrome P450 11B2 (46 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 Weight216.210 g/mol
XLogP32.200
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass216.07 Da
Monoisotopic Mass216.07 Da
Topological Polar Surface Area42.000 Ų
Heavy Atom Count16
Formal Charge0
Complexity239.000
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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