6-bromo-3-(2-methylphenyl)imidazo[1,5-a]pyridine-1-carboxylic acid

C15H11BrN2O2 — CID 84744921

IUPAC6-bromo-3-(2-methylphenyl)imidazo[1,5-a]pyridine-1-carboxylic acid
SMILESCc1ccccc1-c1nc(C(=O)O)c2ccc(Br)cn12
InChIInChI=1S/C15H11BrN2O2/c1-9-4-2-3-5-11(9)14-17-13(15(19)20)12-7-6-10(16)8-18(12)14/h2-8H,1H3,(H,19,20)
InChIKeyAYELCFNYKGRXEC-UHFFFAOYSA-N
MW331.17 g/mol
LogP3.77
Rot. Bonds2

About 6-bromo-3-(2-methylphenyl)imidazo[1,5-a]pyridine-1-carboxylic acid

6-bromo-3-(2-methylphenyl)imidazo[1,5-a]pyridine-1-carboxylic acid (PubChem CID 84744921) has the molecular formula C15H11BrN2O2 and a molecular weight of 331.17 g/mol. Its IUPAC name is 6-bromo-3-(2-methylphenyl)imidazo[1,5-a]pyridine-1-carboxylic acid.

Molecular Properties

Compound Name6-bromo-3-(2-methylphenyl)imidazo[1,5-a]pyridine-1-carboxylic acid
PubChem CID84744921
Molecular FormulaC15H11BrN2O2
Molecular Weight331.17 g/mol
Exact Mass330.00
IUPAC Name6-bromo-3-(2-methylphenyl)imidazo[1,5-a]pyridine-1-carboxylic acid
SMILESCc1ccccc1-c1nc(C(=O)O)c2ccc(Br)cn12
InChIInChI=1S/C15H11BrN2O2/c1-9-4-2-3-5-11(9)14-17-13(15(19)20)12-7-6-10(16)8-18(12)14/h2-8H,1H3,(H,19,20)
InChIKeyAYELCFNYKGRXEC-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

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Related Compounds

6-hydroxy-3-(2-methylphenyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117251391
7-methyl-3-(2-methylphenyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 84742900
8-methyl-3-(2-methylphenyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 84742896
6-bromo-3-(3-fluorophenyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 84745078
6-bromo-3-propan-2-ylimidazo[1,5-a]pyridine-1-carboxylic acid
CID 84743542
6-bromo-1-methylimidazo[1,5-a]pyridine-3-carboxylic acid
CID 82380854
3-(2-aminopropyl)-6-bromoimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117253806
1-bromo-N,N-dimethyl-3-(2-methylphenyl)imidazo[1,5-a]pyridin-6-amine
CID 84744883
6-bromo-2-(2-methylphenyl)quinoline-4-carboxylic acid
CID 3972726
3-(5-chlorofuran-2-yl)-6-hydroxyimidazo[1,5-a]pyridine-1-carboxylic acid
CID 117251172
3-(2-hydroxyphenyl)-7-methoxycarbonylimidazo[1,5-a]pyridine-1-carboxylic acid
CID 137005666
3-(1-methylpyrrol-3-yl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 82477425

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-(2-methylphenyl)imidazo[1,5-a]pyridine-1-carboxylic acid?
The IUPAC name of 6-bromo-3-(2-methylphenyl)imidazo[1,5-a]pyridine-1-carboxylic acid (CID 84744921) is 6-bromo-3-(2-methylphenyl)imidazo[1,5-a]pyridine-1-carboxylic acid.
What is the SMILES notation for 6-bromo-3-(2-methylphenyl)imidazo[1,5-a]pyridine-1-carboxylic acid?
The canonical SMILES for 6-bromo-3-(2-methylphenyl)imidazo[1,5-a]pyridine-1-carboxylic acid is Cc1ccccc1-c1nc(C(=O)O)c2ccc(Br)cn12.
What is the InChIKey of 6-bromo-3-(2-methylphenyl)imidazo[1,5-a]pyridine-1-carboxylic acid?
The InChIKey is AYELCFNYKGRXEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN2O2/c1-9-4-2-3-5-11(9)14-17-13(15(19)20)12-7-6-10(16)8-18(12)14/h2-8H,1H3,(H,19,20).
What are the key properties of 6-bromo-3-(2-methylphenyl)imidazo[1,5-a]pyridine-1-carboxylic acid?
6-bromo-3-(2-methylphenyl)imidazo[1,5-a]pyridine-1-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 6-bromo-3-(2-methylphenyl)imidazo[1,5-a]pyridine-1-carboxylic acid is sourced from PubChem (CID 84744921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).