2-(3-bromo-4-chlorophenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid

C13H7BrClN3O2 — CID 107989451

IUPAC2-(3-bromo-4-chlorophenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
SMILESO=C(O)c1cnc2nc(-c3ccc(Cl)c(Br)c3)[nH]c2c1
InChIInChI=1S/C13H7BrClN3O2/c14-8-3-6(1-2-9(8)15)11-17-10-4-7(13(19)20)5-16-12(10)18-11/h1-5H,(H,19,20)(H,16,17,18)
InChIKeyNBLGEFWMMPLZDP-UHFFFAOYSA-N
MW352.58 g/mol
LogP3.74
Rot. Bonds2

About 2-(3-bromo-4-chlorophenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid

2-(3-bromo-4-chlorophenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid (PubChem CID 107989451) has the molecular formula C13H7BrClN3O2 and a molecular weight of 352.58 g/mol. Its IUPAC name is 2-(3-bromo-4-chlorophenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name2-(3-bromo-4-chlorophenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
PubChem CID107989451
Molecular FormulaC13H7BrClN3O2
Molecular Weight352.58 g/mol
Exact Mass350.94
IUPAC Name2-(3-bromo-4-chlorophenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
SMILESO=C(O)c1cnc2nc(-c3ccc(Cl)c(Br)c3)[nH]c2c1
InChIInChI=1S/C13H7BrClN3O2/c14-8-3-6(1-2-9(8)15)11-17-10-4-7(13(19)20)5-16-12(10)18-11/h1-5H,(H,19,20)(H,16,17,18)
InChIKeyNBLGEFWMMPLZDP-UHFFFAOYSA-N
XLogP3.74
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.58
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methylphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
CID 82821422
2-(3-bromo-4-chlorophenyl)-1H-benzimidazole-4-carboxylic acid
CID 107989442
2-(3,5-difluorophenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
CID 82821137
2-(3-methoxy-4-methylphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
CID 82795992
7-bromo-2-(3,4-dichlorophenyl)-3H-benzimidazole-5-carboxylic acid
CID 91686806
2-thiophen-3-yl-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
CID 82820668
2-(3-methoxyphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
CID 82821325
2-(4-ethoxyphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
CID 82796070
2-(3-chloro-2-fluorophenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
CID 82820856
2-(3-fluoro-4-methoxyphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
CID 82796325
2-(4-chloro-2,5-difluorophenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
CID 82796397
2-pyridin-2-yl-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
CID 82821320

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-chlorophenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid?
The IUPAC name of 2-(3-bromo-4-chlorophenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid (CID 107989451) is 2-(3-bromo-4-chlorophenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid.
What is the SMILES notation for 2-(3-bromo-4-chlorophenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid?
The canonical SMILES for 2-(3-bromo-4-chlorophenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid is O=C(O)c1cnc2nc(-c3ccc(Cl)c(Br)c3)[nH]c2c1.
What is the InChIKey of 2-(3-bromo-4-chlorophenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid?
The InChIKey is NBLGEFWMMPLZDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrClN3O2/c14-8-3-6(1-2-9(8)15)11-17-10-4-7(13(19)20)5-16-12(10)18-11/h1-5H,(H,19,20)(H,16,17,18).
What are the key properties of 2-(3-bromo-4-chlorophenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid?
2-(3-bromo-4-chlorophenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid has a molecular weight of 352.58 g/mol, XLogP of 3.74, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-chlorophenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid is sourced from PubChem (CID 107989451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).