6-(4-bromo-3-chloroanilino)pyridine-3-carboxylic acid

C12H8BrClN2O2 — CID 107613303

IUPAC6-(4-bromo-3-chloroanilino)pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(Nc2ccc(Br)c(Cl)c2)nc1
InChIInChI=1S/C12H8BrClN2O2/c13-9-3-2-8(5-10(9)14)16-11-4-1-7(6-15-11)12(17)18/h1-6H,(H,15,16)(H,17,18)
InChIKeyMHEMYKWNUYLHDW-UHFFFAOYSA-N
MW327.57 g/mol
LogP3.94
Rot. Bonds3

About 6-(4-bromo-3-chloroanilino)pyridine-3-carboxylic acid

6-(4-bromo-3-chloroanilino)pyridine-3-carboxylic acid (PubChem CID 107613303) has the molecular formula C12H8BrClN2O2 and a molecular weight of 327.57 g/mol. Its IUPAC name is 6-(4-bromo-3-chloroanilino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(4-bromo-3-chloroanilino)pyridine-3-carboxylic acid
PubChem CID107613303
Molecular FormulaC12H8BrClN2O2
Molecular Weight327.57 g/mol
Exact Mass325.95
IUPAC Name6-(4-bromo-3-chloroanilino)pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(Nc2ccc(Br)c(Cl)c2)nc1
InChIInChI=1S/C12H8BrClN2O2/c13-9-3-2-8(5-10(9)14)16-11-4-1-7(6-15-11)12(17)18/h1-6H,(H,15,16)(H,17,18)
InChIKeyMHEMYKWNUYLHDW-UHFFFAOYSA-N
XLogP3.94
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.57
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-5-[(5-carbamoyl-2-pyridinyl)amino]benzoic acid
CID 115296105
6-(4-bromo-2-chloroanilino)pyridine-3-carboxylic acid
CID 43347442
6-(4-bromo-3-chloroanilino)pyrazine-2-carboxylic acid
CID 107613331
3-amino-4-(4-bromo-3-chloroanilino)benzoic acid
CID 107615647
N-(4-bromo-3-chlorophenyl)-6-chloropyridine-3-carboxamide
CID 113278384
N-(4-bromo-3-chlorophenyl)-6-(propylamino)pyridine-3-carboxamide
CID 107616648
6-(3-chloro-4-methylanilino)-N-methyl-N-phenylpyridine-3-carboxamide
CID 109162356
1-[4-[6-(3,4-dichloroanilino)pyridine-3-carbonyl]piperazin-1-yl]ethanone
CID 109155276
6-(3-bromo-5-methoxyanilino)pyridine-3-carboxylic acid
CID 82861205
2-(4-bromoanilino)-5-chloropyridine-4-carboxylic acid
CID 114919117
2-chloro-5-[[5-(trifluoromethyl)-2-pyridinyl]amino]benzoic acid
CID 60862551
2-(3,4-dichloroanilino)pyridine-4-carboxylic acid
CID 13082139

Frequently Asked Questions

What is the IUPAC name of 6-(4-bromo-3-chloroanilino)pyridine-3-carboxylic acid?
The IUPAC name of 6-(4-bromo-3-chloroanilino)pyridine-3-carboxylic acid (CID 107613303) is 6-(4-bromo-3-chloroanilino)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(4-bromo-3-chloroanilino)pyridine-3-carboxylic acid?
The canonical SMILES for 6-(4-bromo-3-chloroanilino)pyridine-3-carboxylic acid is O=C(O)c1ccc(Nc2ccc(Br)c(Cl)c2)nc1.
What is the InChIKey of 6-(4-bromo-3-chloroanilino)pyridine-3-carboxylic acid?
The InChIKey is MHEMYKWNUYLHDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrClN2O2/c13-9-3-2-8(5-10(9)14)16-11-4-1-7(6-15-11)12(17)18/h1-6H,(H,15,16)(H,17,18).
What are the key properties of 6-(4-bromo-3-chloroanilino)pyridine-3-carboxylic acid?
6-(4-bromo-3-chloroanilino)pyridine-3-carboxylic acid has a molecular weight of 327.57 g/mol, XLogP of 3.94, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromo-3-chloroanilino)pyridine-3-carboxylic acid is sourced from PubChem (CID 107613303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).