3-(3-chloroimidazo[1,5-a]pyridin-7-yl)butanoic acid

C11H11ClN2O2 — CID 83842810

IUPAC3-(3-chloroimidazo[1,5-a]pyridin-7-yl)butanoic acid
SMILESCC(CC(=O)O)c1ccn2c(Cl)ncc2c1
InChIInChI=1S/C11H11ClN2O2/c1-7(4-10(15)16)8-2-3-14-9(5-8)6-13-11(14)12/h2-3,5-7H,4H2,1H3,(H,15,16)
InChIKeyPGAQOSIYAJZSNP-UHFFFAOYSA-N
MW238.67 g/mol
LogP2.57
Rot. Bonds3

About 3-(3-chloroimidazo[1,5-a]pyridin-7-yl)butanoic acid

3-(3-chloroimidazo[1,5-a]pyridin-7-yl)butanoic acid (PubChem CID 83842810) has the molecular formula C11H11ClN2O2 and a molecular weight of 238.67 g/mol. Its IUPAC name is 3-(3-chloroimidazo[1,5-a]pyridin-7-yl)butanoic acid.

Molecular Properties

Compound Name3-(3-chloroimidazo[1,5-a]pyridin-7-yl)butanoic acid
PubChem CID83842810
Molecular FormulaC11H11ClN2O2
Molecular Weight238.67 g/mol
Exact Mass238.05
IUPAC Name3-(3-chloroimidazo[1,5-a]pyridin-7-yl)butanoic acid
SMILESCC(CC(=O)O)c1ccn2c(Cl)ncc2c1
InChIInChI=1S/C11H11ClN2O2/c1-7(4-10(15)16)8-2-3-14-9(5-8)6-13-11(14)12/h2-3,5-7H,4H2,1H3,(H,15,16)
InChIKeyPGAQOSIYAJZSNP-UHFFFAOYSA-N
XLogP2.57
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.67
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloroimidazo[1,5-a]pyridin-7-yl)acetic acid
CID 83834904
3-(5-chloro-3-pyridinyl)butanoic acid
CID 84669087
3-(3-methylimidazo[1,5-a]pyridin-6-yl)butanoic acid
CID 83836470
3-(3-chlorophenyl)butanoic acid
CID 71683749
(3R)-3-(3,4-dimethylphenyl)butanoic acid
CID 42073243
3-(1-propan-2-ylbenzimidazol-5-yl)butanoic acid
CID 82498137
(3R)-3-(3-fluorophenyl)butanoic acid
CID 28791547
(3S)-3-naphthalen-2-ylbutanoic acid
CID 11350489
3-(5-chloropyrazin-2-yl)butanoic acid
CID 83831777
3-[5-(3-chloro-4-methoxyphenyl)-3-pyridinyl]butanoic acid
CID 110447484
3-(1-chloroimidazo[1,5-a]pyridin-5-yl)butanoic acid
CID 83898224
3-[3-(fluoromethyl)phenyl]butanoic acid
CID 84666853

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloroimidazo[1,5-a]pyridin-7-yl)butanoic acid?
The IUPAC name of 3-(3-chloroimidazo[1,5-a]pyridin-7-yl)butanoic acid (CID 83842810) is 3-(3-chloroimidazo[1,5-a]pyridin-7-yl)butanoic acid.
What is the SMILES notation for 3-(3-chloroimidazo[1,5-a]pyridin-7-yl)butanoic acid?
The canonical SMILES for 3-(3-chloroimidazo[1,5-a]pyridin-7-yl)butanoic acid is CC(CC(=O)O)c1ccn2c(Cl)ncc2c1.
What is the InChIKey of 3-(3-chloroimidazo[1,5-a]pyridin-7-yl)butanoic acid?
The InChIKey is PGAQOSIYAJZSNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O2/c1-7(4-10(15)16)8-2-3-14-9(5-8)6-13-11(14)12/h2-3,5-7H,4H2,1H3,(H,15,16).
What are the key properties of 3-(3-chloroimidazo[1,5-a]pyridin-7-yl)butanoic acid?
3-(3-chloroimidazo[1,5-a]pyridin-7-yl)butanoic acid has a molecular weight of 238.67 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloroimidazo[1,5-a]pyridin-7-yl)butanoic acid is sourced from PubChem (CID 83842810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).