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

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Related Compounds

2-(3-methoxy-4-methylphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
CID 82795992
2-(3-methoxyphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
CID 82821325
2-(3,5-difluorophenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
CID 82821137
2-(3-methoxythiophen-2-yl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
CID 82821331
2-(3-methylphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
CID 82821422
2-(4-ethoxyphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
CID 82796070
2-(3-bromo-4-chlorophenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
CID 107989451
2-(4-fluoro-3-methoxyphenyl)-3H-benzimidazole-5-carboxylic acid
CID 81288878
2-thiophen-3-yl-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
CID 82820668
2-(4-chloro-2,5-difluorophenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
CID 82796397
2-(2-methylphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
CID 82821514
8-(3-fluoro-4-propan-2-yloxyphenyl)-7H-purine
CID 167832358

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).