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

C11H10N2O4 — CID 117253360

IUPAC2-(1-methoxycarbonylimidazo[1,5-a]pyridin-3-yl)acetic acid
SMILESCOC(=O)c1nc(CC(=O)O)n2ccccc12
InChIInChI=1S/C11H10N2O4/c1-17-11(16)10-7-4-2-3-5-13(7)8(12-10)6-9(14)15/h2-5H,6H2,1H3,(H,14,15)
InChIKeyDFQNYAMNKPMYFY-UHFFFAOYSA-N
MW234.21 g/mol
LogP0.75
Rot. Bonds3

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

2-(1-methoxycarbonylimidazo[1,5-a]pyridin-3-yl)acetic acid (PubChem CID 117253360) has the molecular formula C11H10N2O4 and a molecular weight of 234.21 g/mol. Its IUPAC name is 2-(1-methoxycarbonylimidazo[1,5-a]pyridin-3-yl)acetic acid.

Molecular Properties

Compound Name2-(1-methoxycarbonylimidazo[1,5-a]pyridin-3-yl)acetic acid
PubChem CID117253360
Molecular FormulaC11H10N2O4
Molecular Weight234.21 g/mol
Exact Mass234.06
IUPAC Name2-(1-methoxycarbonylimidazo[1,5-a]pyridin-3-yl)acetic acid
SMILESCOC(=O)c1nc(CC(=O)O)n2ccccc12
InChIInChI=1S/C11H10N2O4/c1-17-11(16)10-7-4-2-3-5-13(7)8(12-10)6-9(14)15/h2-5H,6H2,1H3,(H,14,15)
InChIKeyDFQNYAMNKPMYFY-UHFFFAOYSA-N
XLogP0.75
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.21
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-(2-hydroxypropyl)imidazo[1,5-a]pyridine-1-carboxylate
CID 117252766
methyl 3-(2-cyanoethyl)imidazo[1,5-a]pyridine-1-carboxylate
CID 116984118
methyl 3-(3-amino-3-methylbutyl)imidazo[1,5-a]pyridine-1-carboxylate
CID 116984091
2-(6-chloro-1-methoxycarbonylimidazo[1,5-a]pyridin-3-yl)acetic acid
CID 117253910
2-(1-methoxycarbonyl-5-methylimidazo[1,5-a]pyridin-3-yl)acetic acid
CID 117253362
3-O-ethyl 1-O-methyl imidazo[1,5-a]pyridine-1,3-dicarboxylate
CID 116984154
2-(1-nitroimidazo[1,5-a]pyridin-3-yl)acetic acid
CID 83889798
2-[1-(trifluoromethyl)imidazo[1,5-a]pyridin-3-yl]acetic acid
CID 86711675
methyl 3-(1-hydroxybutan-2-yl)imidazo[1,5-a]pyridine-1-carboxylate
CID 116984145
2-(3-ethylimidazo[1,5-a]pyridin-1-yl)acetic acid
CID 28797830
3-ethyl-N-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide
CID 110674602
3-(1-methoxycarbonyl-7-methylimidazo[1,5-a]pyridin-3-yl)propanoic acid
CID 117254518

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxycarbonylimidazo[1,5-a]pyridin-3-yl)acetic acid?
The IUPAC name of 2-(1-methoxycarbonylimidazo[1,5-a]pyridin-3-yl)acetic acid (CID 117253360) is 2-(1-methoxycarbonylimidazo[1,5-a]pyridin-3-yl)acetic acid.
What is the SMILES notation for 2-(1-methoxycarbonylimidazo[1,5-a]pyridin-3-yl)acetic acid?
The canonical SMILES for 2-(1-methoxycarbonylimidazo[1,5-a]pyridin-3-yl)acetic acid is COC(=O)c1nc(CC(=O)O)n2ccccc12.
What is the InChIKey of 2-(1-methoxycarbonylimidazo[1,5-a]pyridin-3-yl)acetic acid?
The InChIKey is DFQNYAMNKPMYFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O4/c1-17-11(16)10-7-4-2-3-5-13(7)8(12-10)6-9(14)15/h2-5H,6H2,1H3,(H,14,15).
What are the key properties of 2-(1-methoxycarbonylimidazo[1,5-a]pyridin-3-yl)acetic acid?
2-(1-methoxycarbonylimidazo[1,5-a]pyridin-3-yl)acetic acid has a molecular weight of 234.21 g/mol, XLogP of 0.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxycarbonylimidazo[1,5-a]pyridin-3-yl)acetic acid is sourced from PubChem (CID 117253360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).