6-chloro-N-(2-chloro-4-nitrophenyl)pyridine-2-carboxamide

C12H7Cl2N3O3 — CID 62234009

IUPAC6-chloro-N-(2-chloro-4-nitrophenyl)pyridine-2-carboxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cccc(Cl)n1
InChIInChI=1S/C12H7Cl2N3O3/c13-8-6-7(17(19)20)4-5-9(8)16-12(18)10-2-1-3-11(14)15-10/h1-6H,(H,16,18)
InChIKeyXDKCWNKHMWWTAA-UHFFFAOYSA-N
MW312.11 g/mol
LogP3.55
Rot. Bonds3

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

6-chloro-N-(2-chloro-4-nitrophenyl)pyridine-2-carboxamide (PubChem CID 62234009) has the molecular formula C12H7Cl2N3O3 and a molecular weight of 312.11 g/mol. Its IUPAC name is 6-chloro-N-(2-chloro-4-nitrophenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(2-chloro-4-nitrophenyl)pyridine-2-carboxamide
PubChem CID62234009
Molecular FormulaC12H7Cl2N3O3
Molecular Weight312.11 g/mol
Exact Mass310.99
IUPAC Name6-chloro-N-(2-chloro-4-nitrophenyl)pyridine-2-carboxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cccc(Cl)n1
InChIInChI=1S/C12H7Cl2N3O3/c13-8-6-7(17(19)20)4-5-9(8)16-12(18)10-2-1-3-11(14)15-10/h1-6H,(H,16,18)
InChIKeyXDKCWNKHMWWTAA-UHFFFAOYSA-N
XLogP3.55
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.11
LogP ≤ 53.55
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

N-(4-bromo-2-chlorophenyl)-6-chloropyridine-2-carboxamide
CID 62234892
2-chloro-N-(2-chloro-4-nitrophenyl)-5-nitrobenzamide
CID 4594592
N-(2-chloro-4-nitrophenyl)naphthalene-2-carboxamide
CID 21212432
6-[(2,4-dinitrophenyl)carbamoyl]pyridine-2-carboxylic acid
CID 102437083
methyl N-(2-chloro-4-nitrophenyl)carbamate
CID 5055099
N-(2-chloro-4-nitrophenyl)pyridine-3-carboxamide
CID 2850411
N-(2-chloro-4-nitrophenyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 2962282
6-chloro-N-[(4-nitrophenyl)methyl]pyridine-2-carboxamide
CID 24903452
6-amino-N-(2-methoxy-5-nitrophenyl)pyridine-2-carboxamide
CID 62240083
3-chloro-N-(2-chloro-4-nitrophenyl)-2-hydroxy-5-nitrobenzamide
CID 5193542
5-chloro-N-(2-chloro-4-nitrophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 80625696
6-fluoro-N-(2-fluoro-5-nitrophenyl)pyridine-2-carboxamide
CID 115496793

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(2-chloro-4-nitrophenyl)pyridine-2-carboxamide?
The IUPAC name of 6-chloro-N-(2-chloro-4-nitrophenyl)pyridine-2-carboxamide (CID 62234009) is 6-chloro-N-(2-chloro-4-nitrophenyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-(2-chloro-4-nitrophenyl)pyridine-2-carboxamide?
The canonical SMILES for 6-chloro-N-(2-chloro-4-nitrophenyl)pyridine-2-carboxamide is O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cccc(Cl)n1.
What is the InChIKey of 6-chloro-N-(2-chloro-4-nitrophenyl)pyridine-2-carboxamide?
The InChIKey is XDKCWNKHMWWTAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2N3O3/c13-8-6-7(17(19)20)4-5-9(8)16-12(18)10-2-1-3-11(14)15-10/h1-6H,(H,16,18).
What are the key properties of 6-chloro-N-(2-chloro-4-nitrophenyl)pyridine-2-carboxamide?
6-chloro-N-(2-chloro-4-nitrophenyl)pyridine-2-carboxamide has a molecular weight of 312.11 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(2-chloro-4-nitrophenyl)pyridine-2-carboxamide is sourced from PubChem (CID 62234009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).