2-chloro-N-(4-cyano-2-nitrophenyl)pyridine-3-carboxamide

C13H7ClN4O3 — CID 78965092

IUPAC2-chloro-N-(4-cyano-2-nitrophenyl)pyridine-3-carboxamide
SMILESN#Cc1ccc(NC(=O)c2cccnc2Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C13H7ClN4O3/c14-12-9(2-1-5-16-12)13(19)17-10-4-3-8(7-15)6-11(10)18(20)21/h1-6H,(H,17,19)
InChIKeyRBYTXMCPVLLVLL-UHFFFAOYSA-N
MW302.68 g/mol
LogP2.77
Rot. Bonds3

About 2-chloro-N-(4-cyano-2-nitrophenyl)pyridine-3-carboxamide

2-chloro-N-(4-cyano-2-nitrophenyl)pyridine-3-carboxamide (PubChem CID 78965092) has the molecular formula C13H7ClN4O3 and a molecular weight of 302.68 g/mol. Its IUPAC name is 2-chloro-N-(4-cyano-2-nitrophenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(4-cyano-2-nitrophenyl)pyridine-3-carboxamide
PubChem CID78965092
Molecular FormulaC13H7ClN4O3
Molecular Weight302.68 g/mol
Exact Mass302.02
IUPAC Name2-chloro-N-(4-cyano-2-nitrophenyl)pyridine-3-carboxamide
SMILESN#Cc1ccc(NC(=O)c2cccnc2Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C13H7ClN4O3/c14-12-9(2-1-5-16-12)13(19)17-10-4-3-8(7-15)6-11(10)18(20)21/h1-6H,(H,17,19)
InChIKeyRBYTXMCPVLLVLL-UHFFFAOYSA-N
XLogP2.77
TPSA108.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.68
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(4-cyano-2-nitrophenyl)-2-fluorobenzamide
CID 78965091
N-(5-bromo-2-nitrophenyl)-2-chloropyridine-3-carboxamide
CID 121379869
2-chloro-N-(5-chloro-2-methyl-4-nitrophenyl)pyridine-3-carboxamide
CID 17102197
2-chloro-N-(2-fluoro-5-nitrophenyl)pyridine-3-carboxamide
CID 17102140
2-chloro-N-(2-chloro-3-pyridinyl)-3-nitrobenzamide
CID 115930967
N-(4-chloro-2-nitrophenyl)-4-cyanobenzamide
CID 103601732
2-chloro-N-(3-methyl-4-nitrophenyl)pyridine-3-carboxamide
CID 60722571
2-chloro-N-(2-methoxy-5-nitrophenyl)pyridine-3-carboxamide
CID 4525624
4-cyano-2-fluoro-N-(4-methyl-2-nitrophenyl)benzamide
CID 17102128
2-chloro-N-(4-chloro-3-cyanophenyl)pyridine-3-carboxamide
CID 60704758
[2-(4-chloro-2-nitroanilino)-2-oxoethyl] 2-chloropyridine-3-carboxylate
CID 7867739
2-chloro-N-(2-cyano-3-fluorophenyl)pyridine-3-carboxamide
CID 43580726

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-cyano-2-nitrophenyl)pyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-(4-cyano-2-nitrophenyl)pyridine-3-carboxamide (CID 78965092) is 2-chloro-N-(4-cyano-2-nitrophenyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-(4-cyano-2-nitrophenyl)pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-(4-cyano-2-nitrophenyl)pyridine-3-carboxamide is N#Cc1ccc(NC(=O)c2cccnc2Cl)c([N+](=O)[O-])c1.
What is the InChIKey of 2-chloro-N-(4-cyano-2-nitrophenyl)pyridine-3-carboxamide?
The InChIKey is RBYTXMCPVLLVLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClN4O3/c14-12-9(2-1-5-16-12)13(19)17-10-4-3-8(7-15)6-11(10)18(20)21/h1-6H,(H,17,19).
What are the key properties of 2-chloro-N-(4-cyano-2-nitrophenyl)pyridine-3-carboxamide?
2-chloro-N-(4-cyano-2-nitrophenyl)pyridine-3-carboxamide has a molecular weight of 302.68 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-cyano-2-nitrophenyl)pyridine-3-carboxamide is sourced from PubChem (CID 78965092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).