6-chloro-N-[(4-nitrophenyl)methyl]pyridine-2-carboxamide

C13H10ClN3O3 — CID 24903452

IUPAC6-chloro-N-[(4-nitrophenyl)methyl]pyridine-2-carboxamide
SMILESO=C(NCc1ccc([N+](=O)[O-])cc1)c1cccc(Cl)n1
InChIInChI=1S/C13H10ClN3O3/c14-12-3-1-2-11(16-12)13(18)15-8-9-4-6-10(7-5-9)17(19)20/h1-7H,8H2,(H,15,18)
InChIKeyQAYNGMSTDXUMNC-UHFFFAOYSA-N
MW291.69 g/mol
LogP2.57
Rot. Bonds4

About 6-chloro-N-[(4-nitrophenyl)methyl]pyridine-2-carboxamide

6-chloro-N-[(4-nitrophenyl)methyl]pyridine-2-carboxamide (PubChem CID 24903452) has the molecular formula C13H10ClN3O3 and a molecular weight of 291.69 g/mol. Its IUPAC name is 6-chloro-N-[(4-nitrophenyl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[(4-nitrophenyl)methyl]pyridine-2-carboxamide
PubChem CID24903452
Molecular FormulaC13H10ClN3O3
Molecular Weight291.69 g/mol
Exact Mass291.04
IUPAC Name6-chloro-N-[(4-nitrophenyl)methyl]pyridine-2-carboxamide
SMILESO=C(NCc1ccc([N+](=O)[O-])cc1)c1cccc(Cl)n1
InChIInChI=1S/C13H10ClN3O3/c14-12-3-1-2-11(16-12)13(18)15-8-9-4-6-10(7-5-9)17(19)20/h1-7H,8H2,(H,15,18)
InChIKeyQAYNGMSTDXUMNC-UHFFFAOYSA-N
XLogP2.57
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.69
LogP ≤ 52.57
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-amino-N-[(4-nitrophenyl)methyl]pyridine-2-carboxamide
CID 62239653
6-chloro-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 62232710
6-chloro-N-(2-chloro-4-nitrophenyl)pyridine-2-carboxamide
CID 62234009
N-[(3-bromophenyl)methyl]-6-chloropyridine-2-carboxamide
CID 24903437
6-chloro-N-[(3,4-dimethoxyphenyl)methyl]pyridine-2-carboxamide
CID 62234893
4-chloro-N-[(4-nitrophenyl)methyl]pyridine-3-carboxamide
CID 81225012
5-chloro-N-[(4-nitrophenyl)methyl]-1,3,4-thiadiazole-2-carboxamide
CID 80624993
N-benzyl-1-[(4-nitrophenyl)methyl]imidazole-4-carboxamide
CID 53491108
2,4-dichloro-N-[(4-nitrophenyl)methyl]benzamide
CID 51289387
2-iodo-N-[(4-nitrophenyl)methyl]benzamide
CID 47311873
6-chloro-N-[(3-methylthiophen-2-yl)methyl]pyridine-2-carboxamide
CID 78989446
6-chloro-N-methyl-N-[(3-nitrophenyl)methyl]pyridine-2-carboxamide
CID 62234937

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(4-nitrophenyl)methyl]pyridine-2-carboxamide?
The IUPAC name of 6-chloro-N-[(4-nitrophenyl)methyl]pyridine-2-carboxamide (CID 24903452) is 6-chloro-N-[(4-nitrophenyl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-[(4-nitrophenyl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 6-chloro-N-[(4-nitrophenyl)methyl]pyridine-2-carboxamide is O=C(NCc1ccc([N+](=O)[O-])cc1)c1cccc(Cl)n1.
What is the InChIKey of 6-chloro-N-[(4-nitrophenyl)methyl]pyridine-2-carboxamide?
The InChIKey is QAYNGMSTDXUMNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3O3/c14-12-3-1-2-11(16-12)13(18)15-8-9-4-6-10(7-5-9)17(19)20/h1-7H,8H2,(H,15,18).
What are the key properties of 6-chloro-N-[(4-nitrophenyl)methyl]pyridine-2-carboxamide?
6-chloro-N-[(4-nitrophenyl)methyl]pyridine-2-carboxamide has a molecular weight of 291.69 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(4-nitrophenyl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 24903452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).