2-chloro-N-(5-chloro-2-nitrophenyl)pyridine-4-carboxamide

C12H7Cl2N3O3 — CID 61040669

IUPAC2-chloro-N-(5-chloro-2-nitrophenyl)pyridine-4-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1[N+](=O)[O-])c1ccnc(Cl)c1
InChIInChI=1S/C12H7Cl2N3O3/c13-8-1-2-10(17(19)20)9(6-8)16-12(18)7-3-4-15-11(14)5-7/h1-6H,(H,16,18)
InChIKeyUCCARYQBVJEGBM-UHFFFAOYSA-N
MW312.11 g/mol
LogP3.55
Rot. Bonds3

About 2-chloro-N-(5-chloro-2-nitrophenyl)pyridine-4-carboxamide

2-chloro-N-(5-chloro-2-nitrophenyl)pyridine-4-carboxamide (PubChem CID 61040669) has the molecular formula C12H7Cl2N3O3 and a molecular weight of 312.11 g/mol. Its IUPAC name is 2-chloro-N-(5-chloro-2-nitrophenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(5-chloro-2-nitrophenyl)pyridine-4-carboxamide
PubChem CID61040669
Molecular FormulaC12H7Cl2N3O3
Molecular Weight312.11 g/mol
Exact Mass310.99
IUPAC Name2-chloro-N-(5-chloro-2-nitrophenyl)pyridine-4-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1[N+](=O)[O-])c1ccnc(Cl)c1
InChIInChI=1S/C12H7Cl2N3O3/c13-8-1-2-10(17(19)20)9(6-8)16-12(18)7-3-4-15-11(14)5-7/h1-6H,(H,16,18)
InChIKeyUCCARYQBVJEGBM-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-(5-chloro-2-fluorophenyl)-3-hydroxy-4-nitrobenzamide
CID 102741114
3-bromo-5-chloro-N-(5-chloro-2-nitrophenyl)benzamide
CID 107951900
N-(5-chloro-2-nitrophenyl)-4-cyanobenzamide
CID 103601735
2-chloro-N-(2-nitro-4-propoxyphenyl)pyridine-4-carboxamide
CID 110493104
[2-(4-chloro-2-nitroanilino)-2-oxoethyl] 2-chloropyridine-4-carboxylate
CID 24524517
N-(5-chloro-2-nitrophenyl)-2,6-difluorobenzamide
CID 69363833
4-chloro-N-(4-chloro-2-nitrophenyl)pyridine-2-carboxamide
CID 60705527
2-bromo-N-(2-nitrophenyl)pyridine-4-carboxamide
CID 114037408
6-chloro-N-(5-methyl-2-nitrophenyl)pyridine-3-carboxamide
CID 115912537
4-amino-N-(2,5-dichlorophenyl)-3-nitrobenzamide
CID 60629488
3-amino-N-(5-chloro-2-nitrophenyl)-1H-1,2,4-triazole-5-carboxamide
CID 62807360
N-(2-chloro-3-pyridinyl)-4-fluoro-3-nitrobenzamide
CID 60714349

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(5-chloro-2-nitrophenyl)pyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-(5-chloro-2-nitrophenyl)pyridine-4-carboxamide (CID 61040669) is 2-chloro-N-(5-chloro-2-nitrophenyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-(5-chloro-2-nitrophenyl)pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-(5-chloro-2-nitrophenyl)pyridine-4-carboxamide is O=C(Nc1cc(Cl)ccc1[N+](=O)[O-])c1ccnc(Cl)c1.
What is the InChIKey of 2-chloro-N-(5-chloro-2-nitrophenyl)pyridine-4-carboxamide?
The InChIKey is UCCARYQBVJEGBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2N3O3/c13-8-1-2-10(17(19)20)9(6-8)16-12(18)7-3-4-15-11(14)5-7/h1-6H,(H,16,18).
What are the key properties of 2-chloro-N-(5-chloro-2-nitrophenyl)pyridine-4-carboxamide?
2-chloro-N-(5-chloro-2-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 2-chloro-N-(5-chloro-2-nitrophenyl)pyridine-4-carboxamide is sourced from PubChem (CID 61040669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).