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

C14H10FN3O3 — CID 82796325

IUPAC2-(3-fluoro-4-methoxyphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
SMILESCOc1ccc(-c2nc3ncc(C(=O)O)cc3[nH]2)cc1F
InChIInChI=1S/C14H10FN3O3/c1-21-11-3-2-7(4-9(11)15)12-17-10-5-8(14(19)20)6-16-13(10)18-12/h2-6H,1H3,(H,19,20)(H,16,17,18)
InChIKeyQYUCFABRYVNWJF-UHFFFAOYSA-N
MW287.25 g/mol
LogP2.47
Rot. Bonds3

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

2-(3-fluoro-4-methoxyphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid (PubChem CID 82796325) has the molecular formula C14H10FN3O3 and a molecular weight of 287.25 g/mol. Its IUPAC name is 2-(3-fluoro-4-methoxyphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name2-(3-fluoro-4-methoxyphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
PubChem CID82796325
Molecular FormulaC14H10FN3O3
Molecular Weight287.25 g/mol
Exact Mass287.07
IUPAC Name2-(3-fluoro-4-methoxyphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
SMILESCOc1ccc(-c2nc3ncc(C(=O)O)cc3[nH]2)cc1F
InChIInChI=1S/C14H10FN3O3/c1-21-11-3-2-7(4-9(11)15)12-17-10-5-8(14(19)20)6-16-13(10)18-12/h2-6H,1H3,(H,19,20)(H,16,17,18)
InChIKeyQYUCFABRYVNWJF-UHFFFAOYSA-N
XLogP2.47
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.25
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(3-fluoro-4-methoxyphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-methoxyphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid?
The IUPAC name of 2-(3-fluoro-4-methoxyphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid (CID 82796325) is 2-(3-fluoro-4-methoxyphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid.
What is the SMILES notation for 2-(3-fluoro-4-methoxyphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid?
The canonical SMILES for 2-(3-fluoro-4-methoxyphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid is COc1ccc(-c2nc3ncc(C(=O)O)cc3[nH]2)cc1F.
What is the InChIKey of 2-(3-fluoro-4-methoxyphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid?
The InChIKey is QYUCFABRYVNWJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3O3/c1-21-11-3-2-7(4-9(11)15)12-17-10-5-8(14(19)20)6-16-13(10)18-12/h2-6H,1H3,(H,19,20)(H,16,17,18).
What are the key properties of 2-(3-fluoro-4-methoxyphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid?
2-(3-fluoro-4-methoxyphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid has a molecular weight of 287.25 g/mol, XLogP of 2.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-methoxyphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid is sourced from PubChem (CID 82796325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).