1-chloro-3-(4-methylphenyl)imidazo[1,5-a]pyridine-6-carboxylic acid

C15H11ClN2O2 — CID 117251411

IUPAC1-chloro-3-(4-methylphenyl)imidazo[1,5-a]pyridine-6-carboxylic acid
SMILESCc1ccc(-c2nc(Cl)c3ccc(C(=O)O)cn23)cc1
InChIInChI=1S/C15H11ClN2O2/c1-9-2-4-10(5-3-9)14-17-13(16)12-7-6-11(15(19)20)8-18(12)14/h2-8H,1H3,(H,19,20)
InChIKeyZBZOFWCCIKVOJS-UHFFFAOYSA-N
MW286.72 g/mol
LogP3.66
Rot. Bonds2

About 1-chloro-3-(4-methylphenyl)imidazo[1,5-a]pyridine-6-carboxylic acid

1-chloro-3-(4-methylphenyl)imidazo[1,5-a]pyridine-6-carboxylic acid (PubChem CID 117251411) has the molecular formula C15H11ClN2O2 and a molecular weight of 286.72 g/mol. Its IUPAC name is 1-chloro-3-(4-methylphenyl)imidazo[1,5-a]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name1-chloro-3-(4-methylphenyl)imidazo[1,5-a]pyridine-6-carboxylic acid
PubChem CID117251411
Molecular FormulaC15H11ClN2O2
Molecular Weight286.72 g/mol
Exact Mass286.05
IUPAC Name1-chloro-3-(4-methylphenyl)imidazo[1,5-a]pyridine-6-carboxylic acid
SMILESCc1ccc(-c2nc(Cl)c3ccc(C(=O)O)cn23)cc1
InChIInChI=1S/C15H11ClN2O2/c1-9-2-4-10(5-3-9)14-17-13(16)12-7-6-11(15(19)20)8-18(12)14/h2-8H,1H3,(H,19,20)
InChIKeyZBZOFWCCIKVOJS-UHFFFAOYSA-N
XLogP3.66
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.72
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-(4-methylphenyl)imidazo[1,5-a]pyridine-6-carboxylic acid?
The IUPAC name of 1-chloro-3-(4-methylphenyl)imidazo[1,5-a]pyridine-6-carboxylic acid (CID 117251411) is 1-chloro-3-(4-methylphenyl)imidazo[1,5-a]pyridine-6-carboxylic acid.
What is the SMILES notation for 1-chloro-3-(4-methylphenyl)imidazo[1,5-a]pyridine-6-carboxylic acid?
The canonical SMILES for 1-chloro-3-(4-methylphenyl)imidazo[1,5-a]pyridine-6-carboxylic acid is Cc1ccc(-c2nc(Cl)c3ccc(C(=O)O)cn23)cc1.
What is the InChIKey of 1-chloro-3-(4-methylphenyl)imidazo[1,5-a]pyridine-6-carboxylic acid?
The InChIKey is ZBZOFWCCIKVOJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2O2/c1-9-2-4-10(5-3-9)14-17-13(16)12-7-6-11(15(19)20)8-18(12)14/h2-8H,1H3,(H,19,20).
What are the key properties of 1-chloro-3-(4-methylphenyl)imidazo[1,5-a]pyridine-6-carboxylic acid?
1-chloro-3-(4-methylphenyl)imidazo[1,5-a]pyridine-6-carboxylic acid has a molecular weight of 286.72 g/mol, XLogP of 3.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-(4-methylphenyl)imidazo[1,5-a]pyridine-6-carboxylic acid is sourced from PubChem (CID 117251411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).