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

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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).