4-(1-chloro-5-methylimidazo[1,5-a]pyridin-3-yl)butanoic acid

C12H13ClN2O2 — CID 84742117

IUPAC4-(1-chloro-5-methylimidazo[1,5-a]pyridin-3-yl)butanoic acid
SMILESCc1cccc2c(Cl)nc(CCCC(=O)O)n12
InChIInChI=1S/C12H13ClN2O2/c1-8-4-2-5-9-12(13)14-10(15(8)9)6-3-7-11(16)17/h2,4-5H,3,6-7H2,1H3,(H,16,17)
InChIKeyAGLZXVABHKUTHF-UHFFFAOYSA-N
MW252.70 g/mol
LogP2.70
Rot. Bonds4

About 4-(1-chloro-5-methylimidazo[1,5-a]pyridin-3-yl)butanoic acid

4-(1-chloro-5-methylimidazo[1,5-a]pyridin-3-yl)butanoic acid (PubChem CID 84742117) has the molecular formula C12H13ClN2O2 and a molecular weight of 252.70 g/mol. Its IUPAC name is 4-(1-chloro-5-methylimidazo[1,5-a]pyridin-3-yl)butanoic acid.

Molecular Properties

Compound Name4-(1-chloro-5-methylimidazo[1,5-a]pyridin-3-yl)butanoic acid
PubChem CID84742117
Molecular FormulaC12H13ClN2O2
Molecular Weight252.70 g/mol
Exact Mass252.07
IUPAC Name4-(1-chloro-5-methylimidazo[1,5-a]pyridin-3-yl)butanoic acid
SMILESCc1cccc2c(Cl)nc(CCCC(=O)O)n12
InChIInChI=1S/C12H13ClN2O2/c1-8-4-2-5-9-12(13)14-10(15(8)9)6-3-7-11(16)17/h2,4-5H,3,6-7H2,1H3,(H,16,17)
InChIKeyAGLZXVABHKUTHF-UHFFFAOYSA-N
XLogP2.70
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.70
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-bromo-5-methylimidazo[1,5-a]pyridin-3-yl)propanoic acid
CID 84743539
1-chloro-3-(2-methoxyethyl)-5-methylimidazo[1,5-a]pyridine
CID 117250259
3-(3,5-dimethylimidazo[1,5-a]pyridin-1-yl)propanoic acid
CID 83836478
2-(1-chloro-3-methylimidazo[1,5-a]pyridin-5-yl)acetic acid
CID 83839544
4-(1-methylbenzimidazol-2-yl)butanoic acid;hydrochloride
CID 71828515
3-(5-fluoro-1-methylimidazo[1,5-a]pyridin-3-yl)propanoic acid
CID 83890451
3-(3-aminopropyl)-1-chloroimidazo[1,5-a]pyridin-5-amine
CID 117253278
methyl 1-chloro-3-(2-hydroxyethyl)imidazo[1,5-a]pyridine-5-carboxylate
CID 117250231
4-(3-chloro-6-methyl-2-pyridinyl)butanoic acid
CID 83886143
4-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)butanoic acid
CID 54919931
2-(1-methoxycarbonyl-5-methylimidazo[1,5-a]pyridin-3-yl)acetic acid
CID 117253362
4-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)butanoic acid
CID 62734691

Frequently Asked Questions

What is the IUPAC name of 4-(1-chloro-5-methylimidazo[1,5-a]pyridin-3-yl)butanoic acid?
The IUPAC name of 4-(1-chloro-5-methylimidazo[1,5-a]pyridin-3-yl)butanoic acid (CID 84742117) is 4-(1-chloro-5-methylimidazo[1,5-a]pyridin-3-yl)butanoic acid.
What is the SMILES notation for 4-(1-chloro-5-methylimidazo[1,5-a]pyridin-3-yl)butanoic acid?
The canonical SMILES for 4-(1-chloro-5-methylimidazo[1,5-a]pyridin-3-yl)butanoic acid is Cc1cccc2c(Cl)nc(CCCC(=O)O)n12.
What is the InChIKey of 4-(1-chloro-5-methylimidazo[1,5-a]pyridin-3-yl)butanoic acid?
The InChIKey is AGLZXVABHKUTHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O2/c1-8-4-2-5-9-12(13)14-10(15(8)9)6-3-7-11(16)17/h2,4-5H,3,6-7H2,1H3,(H,16,17).
What are the key properties of 4-(1-chloro-5-methylimidazo[1,5-a]pyridin-3-yl)butanoic acid?
4-(1-chloro-5-methylimidazo[1,5-a]pyridin-3-yl)butanoic acid has a molecular weight of 252.70 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-chloro-5-methylimidazo[1,5-a]pyridin-3-yl)butanoic acid is sourced from PubChem (CID 84742117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).