3-(6-chloro-1-methoxycarbonylimidazo[1,5-a]pyridin-3-yl)propanoic acid

C12H11ClN2O4 — CID 117253926

IUPAC3-(6-chloro-1-methoxycarbonylimidazo[1,5-a]pyridin-3-yl)propanoic acid
SMILESCOC(=O)c1nc(CCC(=O)O)n2cc(Cl)ccc12
InChIInChI=1S/C12H11ClN2O4/c1-19-12(18)11-8-3-2-7(13)6-15(8)9(14-11)4-5-10(16)17/h2-3,6H,4-5H2,1H3,(H,16,17)
InChIKeyZGHJWQXQRQZUFV-UHFFFAOYSA-N
MW282.68 g/mol
LogP1.79
Rot. Bonds4

About 3-(6-chloro-1-methoxycarbonylimidazo[1,5-a]pyridin-3-yl)propanoic acid

3-(6-chloro-1-methoxycarbonylimidazo[1,5-a]pyridin-3-yl)propanoic acid (PubChem CID 117253926) has the molecular formula C12H11ClN2O4 and a molecular weight of 282.68 g/mol. Its IUPAC name is 3-(6-chloro-1-methoxycarbonylimidazo[1,5-a]pyridin-3-yl)propanoic acid.

Molecular Properties

Compound Name3-(6-chloro-1-methoxycarbonylimidazo[1,5-a]pyridin-3-yl)propanoic acid
PubChem CID117253926
Molecular FormulaC12H11ClN2O4
Molecular Weight282.68 g/mol
Exact Mass282.04
IUPAC Name3-(6-chloro-1-methoxycarbonylimidazo[1,5-a]pyridin-3-yl)propanoic acid
SMILESCOC(=O)c1nc(CCC(=O)O)n2cc(Cl)ccc12
InChIInChI=1S/C12H11ClN2O4/c1-19-12(18)11-8-3-2-7(13)6-15(8)9(14-11)4-5-10(16)17/h2-3,6H,4-5H2,1H3,(H,16,17)
InChIKeyZGHJWQXQRQZUFV-UHFFFAOYSA-N
XLogP1.79
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.68
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(6-chloro-1-methoxycarbonylimidazo[1,5-a]pyridin-3-yl)propanoic acid?
The IUPAC name of 3-(6-chloro-1-methoxycarbonylimidazo[1,5-a]pyridin-3-yl)propanoic acid (CID 117253926) is 3-(6-chloro-1-methoxycarbonylimidazo[1,5-a]pyridin-3-yl)propanoic acid.
What is the SMILES notation for 3-(6-chloro-1-methoxycarbonylimidazo[1,5-a]pyridin-3-yl)propanoic acid?
The canonical SMILES for 3-(6-chloro-1-methoxycarbonylimidazo[1,5-a]pyridin-3-yl)propanoic acid is COC(=O)c1nc(CCC(=O)O)n2cc(Cl)ccc12.
What is the InChIKey of 3-(6-chloro-1-methoxycarbonylimidazo[1,5-a]pyridin-3-yl)propanoic acid?
The InChIKey is ZGHJWQXQRQZUFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O4/c1-19-12(18)11-8-3-2-7(13)6-15(8)9(14-11)4-5-10(16)17/h2-3,6H,4-5H2,1H3,(H,16,17).
What are the key properties of 3-(6-chloro-1-methoxycarbonylimidazo[1,5-a]pyridin-3-yl)propanoic acid?
3-(6-chloro-1-methoxycarbonylimidazo[1,5-a]pyridin-3-yl)propanoic acid has a molecular weight of 282.68 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloro-1-methoxycarbonylimidazo[1,5-a]pyridin-3-yl)propanoic acid is sourced from PubChem (CID 117253926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).