Pyridine, 3-(p-nitrobenzamido)- , CAS No.13313-18-3

CAS: 13313-18-3 Cat. No.: P667987 Molecular Weight: 243.22 PubChem CID: 83332
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Synonyms
4-nitro-N-pyridin-3-ylbenzamide | Pyridine, 3-(p-nitrobenzamido)- | 4-nitro-N-(pyridin-3-yl)benzamide | 4-nitro-N-(3-pyridinyl)benzamide | 3-(p-Nitrobenzamido)pyridine | BRN 0481970 | Oprea1_004762 | Oprea1_368214 | 5-22-09-00021 (Beilstein Handbook Refer
Storage
Room temperature
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1mg
P667987-1mg
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5mg
P667987-5mg
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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-nitro-N-pyridin-3-ylbenzamide | Pyridine, 3-(p-nitrobenzamido)- | 4-nitro-N-(pyridin-3-yl)benzamide | 4-nitro-N-(3-pyridinyl)benzamide | 3-(p-Nitrobenzamido)pyridine | BRN 0481970 | Oprea1_004762 | Oprea1_368214 | 5-22-09-00021 (Beilstein Handbook Refer
Storage
Room temperature
Product Properties
ALogP1.8
Names and Identifiers
Canonical SmilesC1=CC(=CN=C1)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-]
IUPAC Name4-nitro-N-pyridin-3-ylbenzamide
InChIKeyDRCKREXMVGWWIE-UHFFFAOYSA-N
INCHI1S/C12H9N3O3/c16-12(14-10-2-1-7-13-8-10)9-3-5-11(6-4-9)15(17)18/h1-8H,(H,14,16)
Isomeric SMILES C1=CC(=CN=C1)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-]
PubChem CID 83332
Molecular Weight 243.22

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
SuperclassBenzenoids
ClassBenzene and substituted derivatives
SubclassNitrobenzenes
Intermediate Tree Nodes Not available
Direct ParentNitrobenzenes
Alternative Parents Benzamides  Nitroaromatic compounds  Benzoyl derivatives  Pyridines and derivatives  Heteroaromatic compounds  Secondary carboxylic acid amides  Propargyl-type 1,3-dipolar organic compounds  Organic oxoazanium compounds  Azacyclic compounds  Organopnictogen compounds  Organooxygen compounds  Organonitrogen compounds  Organic zwitterions  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents Benzamide - Benzoic acid or derivatives - Nitrobenzene - Nitroaromatic compound - Benzoyl - Pyridine - Heteroaromatic compound - Carboxamide group - C-nitro compound - Organic nitro compound - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Organic oxoazanium - Organoheterocyclic compound - Organic 1,3-dipolar compound - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organopnictogen compound - Organic oxide - Organic zwitterion - Hydrocarbon derivative - Aromatic heteromonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro group.
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
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 Weight243.220 g/mol
XLogP31.800
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass243.064 Da
Monoisotopic Mass243.064 Da
Topological Polar Surface Area87.800 Ų
Heavy Atom Count18
Formal Charge0
Complexity308.000
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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