6-chloro-N-(5-methyl-2-nitrophenyl)pyridine-3-carboxamide

C13H10ClN3O3 — CID 115912537

IUPAC6-chloro-N-(5-methyl-2-nitrophenyl)pyridine-3-carboxamide
SMILESCc1ccc([N+](=O)[O-])c(NC(=O)c2ccc(Cl)nc2)c1
InChIInChI=1S/C13H10ClN3O3/c1-8-2-4-11(17(19)20)10(6-8)16-13(18)9-3-5-12(14)15-7-9/h2-7H,1H3,(H,16,18)
InChIKeyGMJWKRZTZYORHZ-UHFFFAOYSA-N
MW291.69 g/mol
LogP3.20
Rot. Bonds3

About 6-chloro-N-(5-methyl-2-nitrophenyl)pyridine-3-carboxamide

6-chloro-N-(5-methyl-2-nitrophenyl)pyridine-3-carboxamide (PubChem CID 115912537) has the molecular formula C13H10ClN3O3 and a molecular weight of 291.69 g/mol. Its IUPAC name is 6-chloro-N-(5-methyl-2-nitrophenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(5-methyl-2-nitrophenyl)pyridine-3-carboxamide
PubChem CID115912537
Molecular FormulaC13H10ClN3O3
Molecular Weight291.69 g/mol
Exact Mass291.04
IUPAC Name6-chloro-N-(5-methyl-2-nitrophenyl)pyridine-3-carboxamide
SMILESCc1ccc([N+](=O)[O-])c(NC(=O)c2ccc(Cl)nc2)c1
InChIInChI=1S/C13H10ClN3O3/c1-8-2-4-11(17(19)20)10(6-8)16-13(18)9-3-5-12(14)15-7-9/h2-7H,1H3,(H,16,18)
InChIKeyGMJWKRZTZYORHZ-UHFFFAOYSA-N
XLogP3.20
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.69
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

6-chloro-N-(2-chloro-5-methylphenyl)pyridine-3-carboxamide
CID 103769566
6-chloro-N-(2-methyl-3-nitrophenyl)pyridine-3-carboxamide
CID 9395574
4-iodo-N-(5-methyl-2-nitrophenyl)benzamide
CID 115912666
6-chloro-N-(2,4-dinitrophenyl)pyridine-3-carboxamide
CID 22668935
4-chloro-N-(2-chloro-5-methylphenyl)-3-nitrobenzamide
CID 102504215
N-(4-amino-3-nitrophenyl)-6-chloropyridine-3-carboxamide
CID 86248819
6-chloro-N-(2-methoxy-5-nitrophenyl)pyridine-3-carboxamide
CID 2108909
6-chloro-N-(3-nitro-6-phenyl-2-pyridinyl)pyridine-3-carboxamide
CID 146525540
6-bromo-N-(4,5-dimethyl-2-nitrophenyl)pyridine-3-carboxamide
CID 66465119
N-(2,5-dimethylphenyl)-4-methyl-3-nitrobenzamide
CID 711333
N-(2,5-dimethylphenyl)-3-hydroxy-4-nitrobenzamide
CID 103606052
6-chloro-N-(2-methylphenyl)pyridine-3-carboxamide
CID 2599141

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(5-methyl-2-nitrophenyl)pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-(5-methyl-2-nitrophenyl)pyridine-3-carboxamide (CID 115912537) is 6-chloro-N-(5-methyl-2-nitrophenyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-(5-methyl-2-nitrophenyl)pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-(5-methyl-2-nitrophenyl)pyridine-3-carboxamide is Cc1ccc([N+](=O)[O-])c(NC(=O)c2ccc(Cl)nc2)c1.
What is the InChIKey of 6-chloro-N-(5-methyl-2-nitrophenyl)pyridine-3-carboxamide?
The InChIKey is GMJWKRZTZYORHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3O3/c1-8-2-4-11(17(19)20)10(6-8)16-13(18)9-3-5-12(14)15-7-9/h2-7H,1H3,(H,16,18).
What are the key properties of 6-chloro-N-(5-methyl-2-nitrophenyl)pyridine-3-carboxamide?
6-chloro-N-(5-methyl-2-nitrophenyl)pyridine-3-carboxamide has a molecular weight of 291.69 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(5-methyl-2-nitrophenyl)pyridine-3-carboxamide is sourced from PubChem (CID 115912537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).