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

C13H7ClFN3O2 — CID 82820856

IUPAC2-(3-chloro-2-fluorophenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
SMILESO=C(O)c1cnc2nc(-c3cccc(Cl)c3F)[nH]c2c1
InChIInChI=1S/C13H7ClFN3O2/c14-8-3-1-2-7(10(8)15)11-17-9-4-6(13(19)20)5-16-12(9)18-11/h1-5H,(H,19,20)(H,16,17,18)
InChIKeyOJCMRGUMKIIQAJ-UHFFFAOYSA-N
MW291.67 g/mol
LogP3.12
Rot. Bonds2

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

2-(3-chloro-2-fluorophenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid (PubChem CID 82820856) has the molecular formula C13H7ClFN3O2 and a molecular weight of 291.67 g/mol. Its IUPAC name is 2-(3-chloro-2-fluorophenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name2-(3-chloro-2-fluorophenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
PubChem CID82820856
Molecular FormulaC13H7ClFN3O2
Molecular Weight291.67 g/mol
Exact Mass291.02
IUPAC Name2-(3-chloro-2-fluorophenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
SMILESO=C(O)c1cnc2nc(-c3cccc(Cl)c3F)[nH]c2c1
InChIInChI=1S/C13H7ClFN3O2/c14-8-3-1-2-7(10(8)15)11-17-9-4-6(13(19)20)5-16-12(9)18-11/h1-5H,(H,19,20)(H,16,17,18)
InChIKeyOJCMRGUMKIIQAJ-UHFFFAOYSA-N
XLogP3.12
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.67
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-fluorophenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid?
The IUPAC name of 2-(3-chloro-2-fluorophenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid (CID 82820856) is 2-(3-chloro-2-fluorophenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid.
What is the SMILES notation for 2-(3-chloro-2-fluorophenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid?
The canonical SMILES for 2-(3-chloro-2-fluorophenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid is O=C(O)c1cnc2nc(-c3cccc(Cl)c3F)[nH]c2c1.
What is the InChIKey of 2-(3-chloro-2-fluorophenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid?
The InChIKey is OJCMRGUMKIIQAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClFN3O2/c14-8-3-1-2-7(10(8)15)11-17-9-4-6(13(19)20)5-16-12(9)18-11/h1-5H,(H,19,20)(H,16,17,18).
What are the key properties of 2-(3-chloro-2-fluorophenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid?
2-(3-chloro-2-fluorophenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid has a molecular weight of 291.67 g/mol, XLogP of 3.12, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-fluorophenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid is sourced from PubChem (CID 82820856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).