2-(2-bromo-5-fluorophenyl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid

C13H7BrFN3O2 — CID 115938362

IUPAC2-(2-bromo-5-fluorophenyl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
SMILESO=C(O)c1ccnc2nc(-c3cc(F)ccc3Br)[nH]c12
InChIInChI=1S/C13H7BrFN3O2/c14-9-2-1-6(15)5-8(9)11-17-10-7(13(19)20)3-4-16-12(10)18-11/h1-5H,(H,19,20)(H,16,17,18)
InChIKeyMNEIUVFTZONYHD-UHFFFAOYSA-N
MW336.12 g/mol
LogP3.22
Rot. Bonds2

About 2-(2-bromo-5-fluorophenyl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid

2-(2-bromo-5-fluorophenyl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid (PubChem CID 115938362) has the molecular formula C13H7BrFN3O2 and a molecular weight of 336.12 g/mol. Its IUPAC name is 2-(2-bromo-5-fluorophenyl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name2-(2-bromo-5-fluorophenyl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
PubChem CID115938362
Molecular FormulaC13H7BrFN3O2
Molecular Weight336.12 g/mol
Exact Mass334.97
IUPAC Name2-(2-bromo-5-fluorophenyl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
SMILESO=C(O)c1ccnc2nc(-c3cc(F)ccc3Br)[nH]c12
InChIInChI=1S/C13H7BrFN3O2/c14-9-2-1-6(15)5-8(9)11-17-10-7(13(19)20)3-4-16-12(10)18-11/h1-5H,(H,19,20)(H,16,17,18)
InChIKeyMNEIUVFTZONYHD-UHFFFAOYSA-N
XLogP3.22
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.12
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromothiophen-3-yl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
CID 167937720
2-(2,3-difluorophenyl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
CID 115938268
2-[2-fluoro-4-(2-fluorophenyl)phenyl]-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
CID 118484953
2-(2-chlorophenyl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
CID 112582623
2-(2-bromo-5-fluorophenyl)-6-oxo-1H-pyrimidine-5-carboxylic acid
CID 107923917
2-(2,5-dichlorothiophen-3-yl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
CID 114021462
2-(5-chloro-2-methylphenyl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
CID 115938354
2-(3-chloro-4-pyridinyl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
CID 112582695
2-[(2,4-difluorophenyl)methyl]-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
CID 115938333
2-(2H-triazol-4-yl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
CID 136923432
2-(2-bromo-5-fluorophenyl)pyrimidine-4-carboxylic acid
CID 107924229
2-thiophen-2-yl-1H-imidazo[4,5-b]pyridine-7-carboxylic acid
CID 68935802

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-fluorophenyl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid?
The IUPAC name of 2-(2-bromo-5-fluorophenyl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid (CID 115938362) is 2-(2-bromo-5-fluorophenyl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid.
What is the SMILES notation for 2-(2-bromo-5-fluorophenyl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid?
The canonical SMILES for 2-(2-bromo-5-fluorophenyl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid is O=C(O)c1ccnc2nc(-c3cc(F)ccc3Br)[nH]c12.
What is the InChIKey of 2-(2-bromo-5-fluorophenyl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid?
The InChIKey is MNEIUVFTZONYHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrFN3O2/c14-9-2-1-6(15)5-8(9)11-17-10-7(13(19)20)3-4-16-12(10)18-11/h1-5H,(H,19,20)(H,16,17,18).
What are the key properties of 2-(2-bromo-5-fluorophenyl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid?
2-(2-bromo-5-fluorophenyl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid has a molecular weight of 336.12 g/mol, XLogP of 3.22, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-fluorophenyl)-1H-imidazo[4,5-b]pyridine-7-carboxylic acid is sourced from PubChem (CID 115938362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).