4-(8-chloroimidazo[1,5-a]pyridin-3-yl)benzoic acid

C14H9ClN2O2 — CID 117158606

IUPAC4-(8-chloroimidazo[1,5-a]pyridin-3-yl)benzoic acid
SMILESO=C(O)c1ccc(-c2ncc3c(Cl)cccn23)cc1
InChIInChI=1S/C14H9ClN2O2/c15-11-2-1-7-17-12(11)8-16-13(17)9-3-5-10(6-4-9)14(18)19/h1-8H,(H,18,19)
InChIKeyVHANVUROPAWCJV-UHFFFAOYSA-N
MW272.69 g/mol
LogP3.35
Rot. Bonds2

About 4-(8-chloroimidazo[1,5-a]pyridin-3-yl)benzoic acid

4-(8-chloroimidazo[1,5-a]pyridin-3-yl)benzoic acid (PubChem CID 117158606) has the molecular formula C14H9ClN2O2 and a molecular weight of 272.69 g/mol. Its IUPAC name is 4-(8-chloroimidazo[1,5-a]pyridin-3-yl)benzoic acid.

Molecular Properties

Compound Name4-(8-chloroimidazo[1,5-a]pyridin-3-yl)benzoic acid
PubChem CID117158606
Molecular FormulaC14H9ClN2O2
Molecular Weight272.69 g/mol
Exact Mass272.04
IUPAC Name4-(8-chloroimidazo[1,5-a]pyridin-3-yl)benzoic acid
SMILESO=C(O)c1ccc(-c2ncc3c(Cl)cccn23)cc1
InChIInChI=1S/C14H9ClN2O2/c15-11-2-1-7-17-12(11)8-16-13(17)9-3-5-10(6-4-9)14(18)19/h1-8H,(H,18,19)
InChIKeyVHANVUROPAWCJV-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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Related Compounds

8-chloro-3-[4-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridine
CID 117147210
3-(4-chlorophenyl)imidazo[1,5-a]pyridine-8-carboxylic acid
CID 84738796
4-(7-chloroimidazo[1,5-a]pyridin-3-yl)benzoic acid
CID 117158552
2-(8-chloroimidazo[1,5-a]pyridin-3-yl)propan-2-ylcarbamic acid
CID 174235429
8-chloro-3-methylimidazo[1,5-a]pyridine
CID 117147086
8-chloro-3-(2-fluorophenyl)imidazo[1,5-a]pyridine
CID 117147179
4-(8-methylimidazo[1,5-a]pyridin-3-yl)phenol
CID 137006648
3-(4-chlorophenyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 28752075
4-[3-(2,6-dichlorobenzoyl)-8-fluoroindolizin-1-yl]benzoic acid
CID 121472876
4-(8-aminoimidazo[1,5-a]pyridin-3-yl)phenol
CID 137006649
4-[3-(2-chloro-6-fluorobenzoyl)indolizin-1-yl]benzoic acid
CID 121472932
3-chloroimidazo[1,5-a]pyridine-8-carboxylic acid
CID 83831277

Frequently Asked Questions

What is the IUPAC name of 4-(8-chloroimidazo[1,5-a]pyridin-3-yl)benzoic acid?
The IUPAC name of 4-(8-chloroimidazo[1,5-a]pyridin-3-yl)benzoic acid (CID 117158606) is 4-(8-chloroimidazo[1,5-a]pyridin-3-yl)benzoic acid.
What is the SMILES notation for 4-(8-chloroimidazo[1,5-a]pyridin-3-yl)benzoic acid?
The canonical SMILES for 4-(8-chloroimidazo[1,5-a]pyridin-3-yl)benzoic acid is O=C(O)c1ccc(-c2ncc3c(Cl)cccn23)cc1.
What is the InChIKey of 4-(8-chloroimidazo[1,5-a]pyridin-3-yl)benzoic acid?
The InChIKey is VHANVUROPAWCJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN2O2/c15-11-2-1-7-17-12(11)8-16-13(17)9-3-5-10(6-4-9)14(18)19/h1-8H,(H,18,19).
What are the key properties of 4-(8-chloroimidazo[1,5-a]pyridin-3-yl)benzoic acid?
4-(8-chloroimidazo[1,5-a]pyridin-3-yl)benzoic 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 4-(8-chloroimidazo[1,5-a]pyridin-3-yl)benzoic acid is sourced from PubChem (CID 117158606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).