2-chloro-N-(3-chloro-4-fluorophenyl)-5-nitropyridine-4-carboxamide

C12H6Cl2FN3O3 — CID 103730763

IUPAC2-chloro-N-(3-chloro-4-fluorophenyl)-5-nitropyridine-4-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)c1cc(Cl)ncc1[N+](=O)[O-]
InChIInChI=1S/C12H6Cl2FN3O3/c13-8-3-6(1-2-9(8)15)17-12(19)7-4-11(14)16-5-10(7)18(20)21/h1-5H,(H,17,19)
InChIKeyZMIZYALDRGTCQQ-UHFFFAOYSA-N
MW330.10 g/mol
LogP3.69
Rot. Bonds3

About 2-chloro-N-(3-chloro-4-fluorophenyl)-5-nitropyridine-4-carboxamide

2-chloro-N-(3-chloro-4-fluorophenyl)-5-nitropyridine-4-carboxamide (PubChem CID 103730763) has the molecular formula C12H6Cl2FN3O3 and a molecular weight of 330.10 g/mol. Its IUPAC name is 2-chloro-N-(3-chloro-4-fluorophenyl)-5-nitropyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(3-chloro-4-fluorophenyl)-5-nitropyridine-4-carboxamide
PubChem CID103730763
Molecular FormulaC12H6Cl2FN3O3
Molecular Weight330.10 g/mol
Exact Mass328.98
IUPAC Name2-chloro-N-(3-chloro-4-fluorophenyl)-5-nitropyridine-4-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)c1cc(Cl)ncc1[N+](=O)[O-]
InChIInChI=1S/C12H6Cl2FN3O3/c13-8-3-6(1-2-9(8)15)17-12(19)7-4-11(14)16-5-10(7)18(20)21/h1-5H,(H,17,19)
InChIKeyZMIZYALDRGTCQQ-UHFFFAOYSA-N
XLogP3.69
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.10
LogP ≤ 53.69
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-(3-bromo-4-fluorophenyl)-2-chloro-5-nitropyridine-4-carboxamide
CID 103734087
2,5-dichloro-N-(3-fluoro-4-nitrophenyl)pyridine-4-carboxamide
CID 114918756
2-chloro-5-nitro-N-pyridin-4-ylpyridine-4-carboxamide
CID 103730811
5-amino-N-(3-chloro-4-fluorophenyl)-2-nitrobenzamide
CID 62154053
2-chloro-N-(4-cyanophenyl)-5-nitropyridine-4-carboxamide
CID 103732229
2-chloro-N-(3-chloro-4-fluorophenyl)-3-nitrobenzamide
CID 115930885
N-(3-chloro-4-fluorophenyl)-2,4-dinitrobenzamide
CID 2852992
N-(3-chloro-4-fluorophenyl)-5-methylsulfanyl-2-nitrobenzamide
CID 27896493
2-chloro-N-(2,3-difluorophenyl)-5-nitropyridine-4-carboxamide
CID 103733313
5-chloro-N-(3,4-difluorophenyl)-2-nitrobenzamide
CID 3462912
2-amino-N-(3-chloro-4-fluorophenyl)-3-nitropyridine-4-carboxamide
CID 122686717
2-chloro-4,5-difluoro-N-(4-fluoro-3-nitrophenyl)benzamide
CID 26696948

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-chloro-4-fluorophenyl)-5-nitropyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-(3-chloro-4-fluorophenyl)-5-nitropyridine-4-carboxamide (CID 103730763) is 2-chloro-N-(3-chloro-4-fluorophenyl)-5-nitropyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-(3-chloro-4-fluorophenyl)-5-nitropyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-(3-chloro-4-fluorophenyl)-5-nitropyridine-4-carboxamide is O=C(Nc1ccc(F)c(Cl)c1)c1cc(Cl)ncc1[N+](=O)[O-].
What is the InChIKey of 2-chloro-N-(3-chloro-4-fluorophenyl)-5-nitropyridine-4-carboxamide?
The InChIKey is ZMIZYALDRGTCQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl2FN3O3/c13-8-3-6(1-2-9(8)15)17-12(19)7-4-11(14)16-5-10(7)18(20)21/h1-5H,(H,17,19).
What are the key properties of 2-chloro-N-(3-chloro-4-fluorophenyl)-5-nitropyridine-4-carboxamide?
2-chloro-N-(3-chloro-4-fluorophenyl)-5-nitropyridine-4-carboxamide has a molecular weight of 330.10 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-chloro-4-fluorophenyl)-5-nitropyridine-4-carboxamide is sourced from PubChem (CID 103730763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).