3-(4-chlorophenyl)imidazo[1,5-a]pyridine-8-carboxylic acid

C14H9ClN2O2 — CID 84738796

IUPAC3-(4-chlorophenyl)imidazo[1,5-a]pyridine-8-carboxylic acid
SMILESO=C(O)c1cccn2c(-c3ccc(Cl)cc3)ncc12
InChIInChI=1S/C14H9ClN2O2/c15-10-5-3-9(4-6-10)13-16-8-12-11(14(18)19)2-1-7-17(12)13/h1-8H,(H,18,19)
InChIKeyGATMLXMGNXZXRL-UHFFFAOYSA-N
MW272.69 g/mol
LogP3.35
Rot. Bonds2

About 3-(4-chlorophenyl)imidazo[1,5-a]pyridine-8-carboxylic acid

3-(4-chlorophenyl)imidazo[1,5-a]pyridine-8-carboxylic acid (PubChem CID 84738796) has the molecular formula C14H9ClN2O2 and a molecular weight of 272.69 g/mol. Its IUPAC name is 3-(4-chlorophenyl)imidazo[1,5-a]pyridine-8-carboxylic acid.

Molecular Properties

Compound Name3-(4-chlorophenyl)imidazo[1,5-a]pyridine-8-carboxylic acid
PubChem CID84738796
Molecular FormulaC14H9ClN2O2
Molecular Weight272.69 g/mol
Exact Mass272.04
IUPAC Name3-(4-chlorophenyl)imidazo[1,5-a]pyridine-8-carboxylic acid
SMILESO=C(O)c1cccn2c(-c3ccc(Cl)cc3)ncc12
InChIInChI=1S/C14H9ClN2O2/c15-10-5-3-9(4-6-10)13-16-8-12-11(14(18)19)2-1-7-17(12)13/h1-8H,(H,18,19)
InChIKeyGATMLXMGNXZXRL-UHFFFAOYSA-N
XLogP3.35
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.69
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)imidazo[1,5-a]pyridine-8-carboxylic acid?
The IUPAC name of 3-(4-chlorophenyl)imidazo[1,5-a]pyridine-8-carboxylic acid (CID 84738796) is 3-(4-chlorophenyl)imidazo[1,5-a]pyridine-8-carboxylic acid.
What is the SMILES notation for 3-(4-chlorophenyl)imidazo[1,5-a]pyridine-8-carboxylic acid?
The canonical SMILES for 3-(4-chlorophenyl)imidazo[1,5-a]pyridine-8-carboxylic acid is O=C(O)c1cccn2c(-c3ccc(Cl)cc3)ncc12.
What is the InChIKey of 3-(4-chlorophenyl)imidazo[1,5-a]pyridine-8-carboxylic acid?
The InChIKey is GATMLXMGNXZXRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN2O2/c15-10-5-3-9(4-6-10)13-16-8-12-11(14(18)19)2-1-7-17(12)13/h1-8H,(H,18,19).
What are the key properties of 3-(4-chlorophenyl)imidazo[1,5-a]pyridine-8-carboxylic acid?
3-(4-chlorophenyl)imidazo[1,5-a]pyridine-8-carboxylic acid has a molecular weight of 272.69 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)imidazo[1,5-a]pyridine-8-carboxylic acid is sourced from PubChem (CID 84738796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).