1-bromo-3-(3-methylphenyl)imidazo[1,5-a]pyridine-8-carboxylic acid

C15H11BrN2O2 — CID 84609069

IUPAC1-bromo-3-(3-methylphenyl)imidazo[1,5-a]pyridine-8-carboxylic acid
SMILESCc1cccc(-c2nc(Br)c3c(C(=O)O)cccn23)c1
InChIInChI=1S/C15H11BrN2O2/c1-9-4-2-5-10(8-9)14-17-13(16)12-11(15(19)20)6-3-7-18(12)14/h2-8H,1H3,(H,19,20)
InChIKeyQDERWKNVYSLBFQ-UHFFFAOYSA-N
MW331.17 g/mol
LogP3.77
Rot. Bonds2

About 1-bromo-3-(3-methylphenyl)imidazo[1,5-a]pyridine-8-carboxylic acid

1-bromo-3-(3-methylphenyl)imidazo[1,5-a]pyridine-8-carboxylic acid (PubChem CID 84609069) has the molecular formula C15H11BrN2O2 and a molecular weight of 331.17 g/mol. Its IUPAC name is 1-bromo-3-(3-methylphenyl)imidazo[1,5-a]pyridine-8-carboxylic acid.

Molecular Properties

Compound Name1-bromo-3-(3-methylphenyl)imidazo[1,5-a]pyridine-8-carboxylic acid
PubChem CID84609069
Molecular FormulaC15H11BrN2O2
Molecular Weight331.17 g/mol
Exact Mass330.00
IUPAC Name1-bromo-3-(3-methylphenyl)imidazo[1,5-a]pyridine-8-carboxylic acid
SMILESCc1cccc(-c2nc(Br)c3c(C(=O)O)cccn23)c1
InChIInChI=1S/C15H11BrN2O2/c1-9-4-2-5-10(8-9)14-17-13(16)12-11(15(19)20)6-3-7-18(12)14/h2-8H,1H3,(H,19,20)
InChIKeyQDERWKNVYSLBFQ-UHFFFAOYSA-N
XLogP3.77
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.17
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-bromo-3-(3-methylphenyl)imidazo[1,5-a]pyridine-8-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

Related Compounds

3-phenylimidazo[1,5-a]pyridine-1,8-dicarboxylic acid
CID 117252473
1-chloro-3-(3-methoxyphenyl)imidazo[1,5-a]pyridine-8-carboxylic acid
CID 117252470
methyl 1-chloro-3-(3-methylphenyl)imidazo[1,5-a]pyridine-8-carboxylate
CID 117252465
3-(4-methoxyphenyl)imidazo[1,5-a]pyridine-1,8-dicarboxylic acid
CID 117252602
1-bromo-N,N-dimethyl-3-phenylimidazo[1,5-a]pyridin-8-amine
CID 84744532
3,6-dimethyl-2-(3-methylphenyl)pyridine-4-carboxylic acid
CID 170962767
3-(3-methylphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid
CID 83644193
1-chloro-3-pyridin-3-ylimidazo[1,5-a]pyridine-8-carboxylic acid
CID 117252354
2-methyl-5-(3-methylphenyl)benzoic acid
CID 65309585
3-(3-bromo-5-methylphenyl)-2-methylbenzimidazole-4-carboxylic acid
CID 107576710
4-(3-methylphenyl)thiophene-3-carboxylic acid
CID 83234591
2-(3-methylphenyl)-1H-benzimidazole-4-carboxylic acid
CID 63032812

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-(3-methylphenyl)imidazo[1,5-a]pyridine-8-carboxylic acid?
The IUPAC name of 1-bromo-3-(3-methylphenyl)imidazo[1,5-a]pyridine-8-carboxylic acid (CID 84609069) is 1-bromo-3-(3-methylphenyl)imidazo[1,5-a]pyridine-8-carboxylic acid.
What is the SMILES notation for 1-bromo-3-(3-methylphenyl)imidazo[1,5-a]pyridine-8-carboxylic acid?
The canonical SMILES for 1-bromo-3-(3-methylphenyl)imidazo[1,5-a]pyridine-8-carboxylic acid is Cc1cccc(-c2nc(Br)c3c(C(=O)O)cccn23)c1.
What is the InChIKey of 1-bromo-3-(3-methylphenyl)imidazo[1,5-a]pyridine-8-carboxylic acid?
The InChIKey is QDERWKNVYSLBFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN2O2/c1-9-4-2-5-10(8-9)14-17-13(16)12-11(15(19)20)6-3-7-18(12)14/h2-8H,1H3,(H,19,20).
What are the key properties of 1-bromo-3-(3-methylphenyl)imidazo[1,5-a]pyridine-8-carboxylic acid?
1-bromo-3-(3-methylphenyl)imidazo[1,5-a]pyridine-8-carboxylic acid has a molecular weight of 331.17 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-(3-methylphenyl)imidazo[1,5-a]pyridine-8-carboxylic acid is sourced from PubChem (CID 84609069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).