2-(6-chloro-1-methoxycarbonylimidazo[1,5-a]pyridin-3-yl)acetic acid

C11H9ClN2O4 — CID 117253910

IUPAC2-(6-chloro-1-methoxycarbonylimidazo[1,5-a]pyridin-3-yl)acetic acid
SMILESCOC(=O)c1nc(CC(=O)O)n2cc(Cl)ccc12
InChIInChI=1S/C11H9ClN2O4/c1-18-11(17)10-7-3-2-6(12)5-14(7)8(13-10)4-9(15)16/h2-3,5H,4H2,1H3,(H,15,16)
InChIKeyXJIKWQRHAGSNFF-UHFFFAOYSA-N
MW268.66 g/mol
LogP1.40
Rot. Bonds3

About 2-(6-chloro-1-methoxycarbonylimidazo[1,5-a]pyridin-3-yl)acetic acid

2-(6-chloro-1-methoxycarbonylimidazo[1,5-a]pyridin-3-yl)acetic acid (PubChem CID 117253910) has the molecular formula C11H9ClN2O4 and a molecular weight of 268.66 g/mol. Its IUPAC name is 2-(6-chloro-1-methoxycarbonylimidazo[1,5-a]pyridin-3-yl)acetic acid.

Molecular Properties

Compound Name2-(6-chloro-1-methoxycarbonylimidazo[1,5-a]pyridin-3-yl)acetic acid
PubChem CID117253910
Molecular FormulaC11H9ClN2O4
Molecular Weight268.66 g/mol
Exact Mass268.03
IUPAC Name2-(6-chloro-1-methoxycarbonylimidazo[1,5-a]pyridin-3-yl)acetic acid
SMILESCOC(=O)c1nc(CC(=O)O)n2cc(Cl)ccc12
InChIInChI=1S/C11H9ClN2O4/c1-18-11(17)10-7-3-2-6(12)5-14(7)8(13-10)4-9(15)16/h2-3,5H,4H2,1H3,(H,15,16)
InChIKeyXJIKWQRHAGSNFF-UHFFFAOYSA-N
XLogP1.40
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.66
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-1-methoxycarbonylimidazo[1,5-a]pyridin-3-yl)acetic acid?
The IUPAC name of 2-(6-chloro-1-methoxycarbonylimidazo[1,5-a]pyridin-3-yl)acetic acid (CID 117253910) is 2-(6-chloro-1-methoxycarbonylimidazo[1,5-a]pyridin-3-yl)acetic acid.
What is the SMILES notation for 2-(6-chloro-1-methoxycarbonylimidazo[1,5-a]pyridin-3-yl)acetic acid?
The canonical SMILES for 2-(6-chloro-1-methoxycarbonylimidazo[1,5-a]pyridin-3-yl)acetic acid is COC(=O)c1nc(CC(=O)O)n2cc(Cl)ccc12.
What is the InChIKey of 2-(6-chloro-1-methoxycarbonylimidazo[1,5-a]pyridin-3-yl)acetic acid?
The InChIKey is XJIKWQRHAGSNFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O4/c1-18-11(17)10-7-3-2-6(12)5-14(7)8(13-10)4-9(15)16/h2-3,5H,4H2,1H3,(H,15,16).
What are the key properties of 2-(6-chloro-1-methoxycarbonylimidazo[1,5-a]pyridin-3-yl)acetic acid?
2-(6-chloro-1-methoxycarbonylimidazo[1,5-a]pyridin-3-yl)acetic acid has a molecular weight of 268.66 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-1-methoxycarbonylimidazo[1,5-a]pyridin-3-yl)acetic acid is sourced from PubChem (CID 117253910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).