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

C12H7Cl2N3O3 — CID 79118519

IUPAC3-chloro-N-(3-chloro-4-nitrophenyl)pyridine-4-carboxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)c1ccncc1Cl
InChIInChI=1S/C12H7Cl2N3O3/c13-9-5-7(1-2-11(9)17(19)20)16-12(18)8-3-4-15-6-10(8)14/h1-6H,(H,16,18)
InChIKeyZCLWJKOYVFUZRX-UHFFFAOYSA-N
MW312.11 g/mol
LogP3.55
Rot. Bonds3

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

3-chloro-N-(3-chloro-4-nitrophenyl)pyridine-4-carboxamide (PubChem CID 79118519) has the molecular formula C12H7Cl2N3O3 and a molecular weight of 312.11 g/mol. Its IUPAC name is 3-chloro-N-(3-chloro-4-nitrophenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-chloro-N-(3-chloro-4-nitrophenyl)pyridine-4-carboxamide
PubChem CID79118519
Molecular FormulaC12H7Cl2N3O3
Molecular Weight312.11 g/mol
Exact Mass310.99
IUPAC Name3-chloro-N-(3-chloro-4-nitrophenyl)pyridine-4-carboxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)c1ccncc1Cl
InChIInChI=1S/C12H7Cl2N3O3/c13-9-5-7(1-2-11(9)17(19)20)16-12(18)8-3-4-15-6-10(8)14/h1-6H,(H,16,18)
InChIKeyZCLWJKOYVFUZRX-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': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3-bromo-4-nitrophenyl)-3-chloropyridine-4-carboxamide
CID 82864701
3-chloro-N-(3-methyl-4-nitrophenyl)pyridine-4-carboxamide
CID 66484722
N-(3-chloro-4-nitrophenyl)-2-fluorobenzamide
CID 18542951
2-N,5-N-bis(3-chloro-4-nitrophenyl)pyridine-2,5-dicarboxamide
CID 4294395
N-(4-chloro-3-nitrophenyl)-4-hydrazinylpyridine-3-carboxamide
CID 107812142
2-amino-N-(3-chloro-4-nitrophenyl)-5-fluorobenzamide
CID 82865747
2-amino-N-(3-chloro-4-nitrophenyl)-5-methylbenzamide
CID 82865772
2,4-dichloro-N-[3-[(2,4-dichlorobenzoyl)amino]-4-nitrophenyl]benzamide
CID 2850372
N-(3-chloro-4-nitrophenyl)-6-fluoropyridine-3-carboxamide
CID 78962697
5-bromo-N-(3-chloro-4-nitrophenyl)-2-methylbenzamide
CID 79012178
3,5-dibromo-N-(3-chloro-4-nitrophenyl)benzamide
CID 107980537
2,5-dichloro-N-(3-fluoro-4-nitrophenyl)pyridine-4-carboxamide
CID 114918756

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(3-chloro-4-nitrophenyl)pyridine-4-carboxamide?
The IUPAC name of 3-chloro-N-(3-chloro-4-nitrophenyl)pyridine-4-carboxamide (CID 79118519) is 3-chloro-N-(3-chloro-4-nitrophenyl)pyridine-4-carboxamide.
What is the SMILES notation for 3-chloro-N-(3-chloro-4-nitrophenyl)pyridine-4-carboxamide?
The canonical SMILES for 3-chloro-N-(3-chloro-4-nitrophenyl)pyridine-4-carboxamide is O=C(Nc1ccc([N+](=O)[O-])c(Cl)c1)c1ccncc1Cl.
What is the InChIKey of 3-chloro-N-(3-chloro-4-nitrophenyl)pyridine-4-carboxamide?
The InChIKey is ZCLWJKOYVFUZRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2N3O3/c13-9-5-7(1-2-11(9)17(19)20)16-12(18)8-3-4-15-6-10(8)14/h1-6H,(H,16,18).
What are the key properties of 3-chloro-N-(3-chloro-4-nitrophenyl)pyridine-4-carboxamide?
3-chloro-N-(3-chloro-4-nitrophenyl)pyridine-4-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 3-chloro-N-(3-chloro-4-nitrophenyl)pyridine-4-carboxamide is sourced from PubChem (CID 79118519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).