2-chloro-N-(3-chloro-2-fluorophenyl)-6-(methylamino)pyridine-4-carboxamide

C13H10Cl2FN3O — CID 62166988

IUPAC2-chloro-N-(3-chloro-2-fluorophenyl)-6-(methylamino)pyridine-4-carboxamide
SMILESCNc1cc(C(=O)Nc2cccc(Cl)c2F)cc(Cl)n1
InChIInChI=1S/C13H10Cl2FN3O/c1-17-11-6-7(5-10(15)19-11)13(20)18-9-4-2-3-8(14)12(9)16/h2-6H,1H3,(H,17,19)(H,18,20)
InChIKeyNIACFFNWPZPETR-UHFFFAOYSA-N
MW314.15 g/mol
LogP3.82
Rot. Bonds3

About 2-chloro-N-(3-chloro-2-fluorophenyl)-6-(methylamino)pyridine-4-carboxamide

2-chloro-N-(3-chloro-2-fluorophenyl)-6-(methylamino)pyridine-4-carboxamide (PubChem CID 62166988) has the molecular formula C13H10Cl2FN3O and a molecular weight of 314.15 g/mol. Its IUPAC name is 2-chloro-N-(3-chloro-2-fluorophenyl)-6-(methylamino)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(3-chloro-2-fluorophenyl)-6-(methylamino)pyridine-4-carboxamide
PubChem CID62166988
Molecular FormulaC13H10Cl2FN3O
Molecular Weight314.15 g/mol
Exact Mass313.02
IUPAC Name2-chloro-N-(3-chloro-2-fluorophenyl)-6-(methylamino)pyridine-4-carboxamide
SMILESCNc1cc(C(=O)Nc2cccc(Cl)c2F)cc(Cl)n1
InChIInChI=1S/C13H10Cl2FN3O/c1-17-11-6-7(5-10(15)19-11)13(20)18-9-4-2-3-8(14)12(9)16/h2-6H,1H3,(H,17,19)(H,18,20)
InChIKeyNIACFFNWPZPETR-UHFFFAOYSA-N
XLogP3.82
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.15
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-(2,3-dimethylphenyl)-6-(methylamino)pyridine-4-carboxamide
CID 62166263
N-(3-chloro-2-fluorophenyl)-3,5-difluoro-4-(methylamino)benzamide
CID 63187023
2-chloro-N-(2-methoxyphenyl)-6-(methylamino)pyridine-4-carboxamide
CID 62185758
2-chloro-N-(2-chloro-6-methylphenyl)-6-(methylamino)pyridine-4-carboxamide
CID 66255648
2-chloro-6-(methylamino)-N-phenylpyridine-4-carboxamide
CID 55042308
2-chloro-N-(2,5-difluoro-4-methylphenyl)-6-(methylamino)pyridine-4-carboxamide
CID 103587266
2-chloro-6-(3-chloro-2-fluoroanilino)pyridine-4-carboxylic acid
CID 43343692
2-chloro-N-(4-fluoro-3-methylphenyl)-6-(methylamino)pyridine-4-carboxamide
CID 62811586
3,5-diamino-N-(3-chloro-2-fluorophenyl)benzamide
CID 61093166
2-chloro-N-(3-methoxyphenyl)-6-(methylamino)pyridine-4-carboxamide
CID 62167485
N-(3-chloro-2-fluorophenyl)-1H-pyrazole-4-carboxamide
CID 43532988
2-chloro-N-(2-fluorophenyl)-6-hydrazinylpyridine-4-carboxamide
CID 62247770

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-chloro-2-fluorophenyl)-6-(methylamino)pyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-(3-chloro-2-fluorophenyl)-6-(methylamino)pyridine-4-carboxamide (CID 62166988) is 2-chloro-N-(3-chloro-2-fluorophenyl)-6-(methylamino)pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-(3-chloro-2-fluorophenyl)-6-(methylamino)pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-(3-chloro-2-fluorophenyl)-6-(methylamino)pyridine-4-carboxamide is CNc1cc(C(=O)Nc2cccc(Cl)c2F)cc(Cl)n1.
What is the InChIKey of 2-chloro-N-(3-chloro-2-fluorophenyl)-6-(methylamino)pyridine-4-carboxamide?
The InChIKey is NIACFFNWPZPETR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2FN3O/c1-17-11-6-7(5-10(15)19-11)13(20)18-9-4-2-3-8(14)12(9)16/h2-6H,1H3,(H,17,19)(H,18,20).
What are the key properties of 2-chloro-N-(3-chloro-2-fluorophenyl)-6-(methylamino)pyridine-4-carboxamide?
2-chloro-N-(3-chloro-2-fluorophenyl)-6-(methylamino)pyridine-4-carboxamide has a molecular weight of 314.15 g/mol, XLogP of 3.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-chloro-2-fluorophenyl)-6-(methylamino)pyridine-4-carboxamide is sourced from PubChem (CID 62166988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).