6-bromo-N-(2-chloro-4-fluorophenyl)pyridine-2-carboxamide

C12H7BrClFN2O — CID 103874071

IUPAC6-bromo-N-(2-chloro-4-fluorophenyl)pyridine-2-carboxamide
SMILESO=C(Nc1ccc(F)cc1Cl)c1cccc(Br)n1
InChIInChI=1S/C12H7BrClFN2O/c13-11-3-1-2-10(16-11)12(18)17-9-5-4-7(15)6-8(9)14/h1-6H,(H,17,18)
InChIKeyWOLGBZPNYUUOCC-UHFFFAOYSA-N
MW329.56 g/mol
LogP3.89
Rot. Bonds2

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

6-bromo-N-(2-chloro-4-fluorophenyl)pyridine-2-carboxamide (PubChem CID 103874071) has the molecular formula C12H7BrClFN2O and a molecular weight of 329.56 g/mol. Its IUPAC name is 6-bromo-N-(2-chloro-4-fluorophenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-bromo-N-(2-chloro-4-fluorophenyl)pyridine-2-carboxamide
PubChem CID103874071
Molecular FormulaC12H7BrClFN2O
Molecular Weight329.56 g/mol
Exact Mass327.94
IUPAC Name6-bromo-N-(2-chloro-4-fluorophenyl)pyridine-2-carboxamide
SMILESO=C(Nc1ccc(F)cc1Cl)c1cccc(Br)n1
InChIInChI=1S/C12H7BrClFN2O/c13-11-3-1-2-10(16-11)12(18)17-9-5-4-7(15)6-8(9)14/h1-6H,(H,17,18)
InChIKeyWOLGBZPNYUUOCC-UHFFFAOYSA-N
XLogP3.89
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.56
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-amino-N-(2-chloro-4-fluorophenyl)pyridine-2-carboxamide
CID 62239457
6-bromo-N-(3-chloro-2-methylphenyl)pyridine-2-carboxamide
CID 103874055
N-(4-bromo-2-chlorophenyl)-6-chloropyridine-2-carboxamide
CID 62234892
6-bromo-N-(2-fluoro-5-methylphenyl)pyridine-2-carboxamide
CID 103874101
N-(2-chloro-4-fluorophenyl)-3-iodobenzamide
CID 26364200
3,6-dichloro-N-(2-chloro-4-fluorophenyl)pyridine-2-carboxamide
CID 26364309
5-chloro-N-(2-chloro-4-fluorophenyl)pyrazine-2-carboxamide
CID 107371772
6-bromo-N-(2-methoxyphenyl)pyridine-2-carboxamide
CID 103874036
6-bromo-N-[(2,5-difluorophenyl)methyl]pyridine-2-carboxamide
CID 103875325
2-N,6-N-bis(4-chloro-2-fluorophenyl)pyridine-2,6-dicarboxamide
CID 3352552
2-bromo-N-(2-chloro-4-fluorophenyl)-5-iodobenzamide
CID 114027522
6-N-(2,4-difluorophenyl)-2-N-phenylpyridine-2,6-dicarboxamide
CID 109100019

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(2-chloro-4-fluorophenyl)pyridine-2-carboxamide?
The IUPAC name of 6-bromo-N-(2-chloro-4-fluorophenyl)pyridine-2-carboxamide (CID 103874071) is 6-bromo-N-(2-chloro-4-fluorophenyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-bromo-N-(2-chloro-4-fluorophenyl)pyridine-2-carboxamide?
The canonical SMILES for 6-bromo-N-(2-chloro-4-fluorophenyl)pyridine-2-carboxamide is O=C(Nc1ccc(F)cc1Cl)c1cccc(Br)n1.
What is the InChIKey of 6-bromo-N-(2-chloro-4-fluorophenyl)pyridine-2-carboxamide?
The InChIKey is WOLGBZPNYUUOCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrClFN2O/c13-11-3-1-2-10(16-11)12(18)17-9-5-4-7(15)6-8(9)14/h1-6H,(H,17,18).
What are the key properties of 6-bromo-N-(2-chloro-4-fluorophenyl)pyridine-2-carboxamide?
6-bromo-N-(2-chloro-4-fluorophenyl)pyridine-2-carboxamide has a molecular weight of 329.56 g/mol, XLogP of 3.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(2-chloro-4-fluorophenyl)pyridine-2-carboxamide is sourced from PubChem (CID 103874071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).