6-chloro-N-[(3-nitrophenyl)methyl]pyridine-3-carboxamide

C13H10ClN3O3 — CID 24903449

IUPAC6-chloro-N-[(3-nitrophenyl)methyl]pyridine-3-carboxamide
SMILESO=C(NCc1cccc([N+](=O)[O-])c1)c1ccc(Cl)nc1
InChIInChI=1S/C13H10ClN3O3/c14-12-5-4-10(8-15-12)13(18)16-7-9-2-1-3-11(6-9)17(19)20/h1-6,8H,7H2,(H,16,18)
InChIKeyZYFBVXUHURXRNN-UHFFFAOYSA-N
MW291.69 g/mol
LogP2.57
Rot. Bonds4

About 6-chloro-N-[(3-nitrophenyl)methyl]pyridine-3-carboxamide

6-chloro-N-[(3-nitrophenyl)methyl]pyridine-3-carboxamide (PubChem CID 24903449) has the molecular formula C13H10ClN3O3 and a molecular weight of 291.69 g/mol. Its IUPAC name is 6-chloro-N-[(3-nitrophenyl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[(3-nitrophenyl)methyl]pyridine-3-carboxamide
PubChem CID24903449
Molecular FormulaC13H10ClN3O3
Molecular Weight291.69 g/mol
Exact Mass291.04
IUPAC Name6-chloro-N-[(3-nitrophenyl)methyl]pyridine-3-carboxamide
SMILESO=C(NCc1cccc([N+](=O)[O-])c1)c1ccc(Cl)nc1
InChIInChI=1S/C13H10ClN3O3/c14-12-5-4-10(8-15-12)13(18)16-7-9-2-1-3-11(6-9)17(19)20/h1-6,8H,7H2,(H,16,18)
InChIKeyZYFBVXUHURXRNN-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-chloro-N-[(3-fluorophenyl)methyl]pyridine-3-carboxamide
CID 24903422
2-fluoro-N-[(3-nitrophenyl)methyl]pyridine-4-carboxamide
CID 62308259
N-benzyl-3-nitro(11C)benzamide
CID 71606846
5-iodo-N-[(3-nitrophenyl)methyl]thiophene-3-carboxamide
CID 78948474
6-chloro-N-[[4-(phenylmethoxymethyl)phenyl]methyl]pyridine-3-carboxamide
CID 46456887
2-amino-5-bromo-N-[(3-nitrophenyl)methyl]pyridine-3-carboxamide
CID 62503690
2-chloro-N-[(3-methylphenyl)methyl]-5-nitropyridine-3-carboxamide
CID 103803534
6-chloro-N-(2,4-dinitrophenyl)pyridine-3-carboxamide
CID 22668935
6-amino-N-[(3-nitrophenyl)methyl]pyridazine-3-carboxamide
CID 62503346
6-chloro-N-[[2-(hydroxymethyl)phenyl]methyl]pyridine-3-carboxamide
CID 110902455
2-iodo-N-[(3-nitrophenyl)methyl]benzamide
CID 47450330
6-chloro-N-[(3-nitrophenyl)methyl]pyrazin-2-amine
CID 47453552

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(3-nitrophenyl)methyl]pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-[(3-nitrophenyl)methyl]pyridine-3-carboxamide (CID 24903449) is 6-chloro-N-[(3-nitrophenyl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-[(3-nitrophenyl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-[(3-nitrophenyl)methyl]pyridine-3-carboxamide is O=C(NCc1cccc([N+](=O)[O-])c1)c1ccc(Cl)nc1.
What is the InChIKey of 6-chloro-N-[(3-nitrophenyl)methyl]pyridine-3-carboxamide?
The InChIKey is ZYFBVXUHURXRNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3O3/c14-12-5-4-10(8-15-12)13(18)16-7-9-2-1-3-11(6-9)17(19)20/h1-6,8H,7H2,(H,16,18).
What are the key properties of 6-chloro-N-[(3-nitrophenyl)methyl]pyridine-3-carboxamide?
6-chloro-N-[(3-nitrophenyl)methyl]pyridine-3-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-[(3-nitrophenyl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 24903449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).