3-(6-bromoimidazo[1,5-a]pyridin-3-yl)benzoic acid

C14H9BrN2O2 — CID 117158432

IUPAC3-(6-bromoimidazo[1,5-a]pyridin-3-yl)benzoic acid
SMILESO=C(O)c1cccc(-c2ncc3ccc(Br)cn23)c1
InChIInChI=1S/C14H9BrN2O2/c15-11-4-5-12-7-16-13(17(12)8-11)9-2-1-3-10(6-9)14(18)19/h1-8H,(H,18,19)
InChIKeyDFOQSLFGKLFRGK-UHFFFAOYSA-N
MW317.14 g/mol
LogP3.46
Rot. Bonds2

About 3-(6-bromoimidazo[1,5-a]pyridin-3-yl)benzoic acid

3-(6-bromoimidazo[1,5-a]pyridin-3-yl)benzoic acid (PubChem CID 117158432) has the molecular formula C14H9BrN2O2 and a molecular weight of 317.14 g/mol. Its IUPAC name is 3-(6-bromoimidazo[1,5-a]pyridin-3-yl)benzoic acid.

Molecular Properties

Compound Name3-(6-bromoimidazo[1,5-a]pyridin-3-yl)benzoic acid
PubChem CID117158432
Molecular FormulaC14H9BrN2O2
Molecular Weight317.14 g/mol
Exact Mass315.98
IUPAC Name3-(6-bromoimidazo[1,5-a]pyridin-3-yl)benzoic acid
SMILESO=C(O)c1cccc(-c2ncc3ccc(Br)cn23)c1
InChIInChI=1S/C14H9BrN2O2/c15-11-4-5-12-7-16-13(17(12)8-11)9-2-1-3-10(6-9)14(18)19/h1-8H,(H,18,19)
InChIKeyDFOQSLFGKLFRGK-UHFFFAOYSA-N
XLogP3.46
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.14
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-bromo-3-phenylimidazo[1,5-a]pyridine
CID 71535466
3-(6-bromoimidazo[1,5-a]pyridin-3-yl)aniline
CID 117158425
3-(7-aminoimidazo[1,5-a]pyridin-3-yl)benzoic acid
CID 117158533
3-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyridine-6-carboxylic acid
CID 117140347
3-(4-methylphenyl)imidazo[1,5-a]pyridine-6-carboxylic acid
CID 84737805
6-chloro-3-(3-chlorophenyl)imidazo[1,5-a]pyridine
CID 117139783
3-[3-(3-carboxyphenyl)phenyl]benzoic acid
CID 12023925
3-(2,6-dimethyl-4-pyridinyl)benzoic acid
CID 22317581
3-(2-methyl-1,3-thiazol-5-yl)benzoic acid
CID 68846285
3-(1-methylimidazol-4-yl)benzoic acid
CID 82608062
3-[3-(3-carboxyphenyl)-5-methylphenyl]benzoic acid
CID 163197733
6-bromo-3-(3-fluorophenyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 84745078

Frequently Asked Questions

What is the IUPAC name of 3-(6-bromoimidazo[1,5-a]pyridin-3-yl)benzoic acid?
The IUPAC name of 3-(6-bromoimidazo[1,5-a]pyridin-3-yl)benzoic acid (CID 117158432) is 3-(6-bromoimidazo[1,5-a]pyridin-3-yl)benzoic acid.
What is the SMILES notation for 3-(6-bromoimidazo[1,5-a]pyridin-3-yl)benzoic acid?
The canonical SMILES for 3-(6-bromoimidazo[1,5-a]pyridin-3-yl)benzoic acid is O=C(O)c1cccc(-c2ncc3ccc(Br)cn23)c1.
What is the InChIKey of 3-(6-bromoimidazo[1,5-a]pyridin-3-yl)benzoic acid?
The InChIKey is DFOQSLFGKLFRGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrN2O2/c15-11-4-5-12-7-16-13(17(12)8-11)9-2-1-3-10(6-9)14(18)19/h1-8H,(H,18,19).
What are the key properties of 3-(6-bromoimidazo[1,5-a]pyridin-3-yl)benzoic acid?
3-(6-bromoimidazo[1,5-a]pyridin-3-yl)benzoic acid has a molecular weight of 317.14 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-bromoimidazo[1,5-a]pyridin-3-yl)benzoic acid is sourced from PubChem (CID 117158432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).