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

C12H12N2O4 — CID 134969291

IUPAC2-(2-ethoxycarbonylimidazo[1,2-a]pyridin-3-yl)acetic acid
SMILESCCOC(=O)c1nc2ccccn2c1CC(=O)O
InChIInChI=1S/C12H12N2O4/c1-2-18-12(17)11-8(7-10(15)16)14-6-4-3-5-9(14)13-11/h3-6H,2,7H2,1H3,(H,15,16)
InChIKeyPVZYLJOKBGTVEY-UHFFFAOYSA-N
MW248.24 g/mol
LogP1.14
Rot. Bonds4

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

2-(2-ethoxycarbonylimidazo[1,2-a]pyridin-3-yl)acetic acid (PubChem CID 134969291) has the molecular formula C12H12N2O4 and a molecular weight of 248.24 g/mol. Its IUPAC name is 2-(2-ethoxycarbonylimidazo[1,2-a]pyridin-3-yl)acetic acid.

Molecular Properties

Compound Name2-(2-ethoxycarbonylimidazo[1,2-a]pyridin-3-yl)acetic acid
PubChem CID134969291
Molecular FormulaC12H12N2O4
Molecular Weight248.24 g/mol
Exact Mass248.08
IUPAC Name2-(2-ethoxycarbonylimidazo[1,2-a]pyridin-3-yl)acetic acid
SMILESCCOC(=O)c1nc2ccccn2c1CC(=O)O
InChIInChI=1S/C12H12N2O4/c1-2-18-12(17)11-8(7-10(15)16)14-6-4-3-5-9(14)13-11/h3-6H,2,7H2,1H3,(H,15,16)
InChIKeyPVZYLJOKBGTVEY-UHFFFAOYSA-N
XLogP1.14
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-(cyanomethyl)imidazo[1,2-a]pyridine-2-carboxylate
CID 82054865
ethyl 3-cyclopropylimidazo[1,2-a]pyridine-2-carboxylate
CID 67953969
ethyl 2-methylimidazo[1,2-a]pyridine-3-carboxylate;hydrochloride
CID 52988808
ethyl 2-bromoimidazo[1,2-a]pyridine-3-carboxylate
CID 131383872
2-(2-tert-butylimidazo[1,2-a]pyridin-3-yl)acetic acid
CID 82055184
ethyl 3-phenyl-1,4,8-triazatricyclo[7.4.0.02,7]trideca-2,4,6,8,10,12-hexaene-5-carboxylate
CID 10591570
ethyl triazolo[1,5-a]pyridine-3-carboxylate
CID 13111408
ethyl 2-[(E)-5-chloro-1,2,3,3,4,4,5,5-octafluoropent-1-enyl]imidazo[1,2-a]pyridine-3-carboxylate
CID 10789086
ethyl 2-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-oxoacetate
CID 75480680
ethyl 2-(4-hydroxyphenyl)imidazo[1,2-a]pyridine-3-carboxylate
CID 21280357
ethyl 4-methyl-1,3,8-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10,12-hexaene-5-carboxylate
CID 86059330
2-amino-1-(3-methylimidazo[1,2-a]pyridin-2-yl)ethanone
CID 84661951

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxycarbonylimidazo[1,2-a]pyridin-3-yl)acetic acid?
The IUPAC name of 2-(2-ethoxycarbonylimidazo[1,2-a]pyridin-3-yl)acetic acid (CID 134969291) is 2-(2-ethoxycarbonylimidazo[1,2-a]pyridin-3-yl)acetic acid.
What is the SMILES notation for 2-(2-ethoxycarbonylimidazo[1,2-a]pyridin-3-yl)acetic acid?
The canonical SMILES for 2-(2-ethoxycarbonylimidazo[1,2-a]pyridin-3-yl)acetic acid is CCOC(=O)c1nc2ccccn2c1CC(=O)O.
What is the InChIKey of 2-(2-ethoxycarbonylimidazo[1,2-a]pyridin-3-yl)acetic acid?
The InChIKey is PVZYLJOKBGTVEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O4/c1-2-18-12(17)11-8(7-10(15)16)14-6-4-3-5-9(14)13-11/h3-6H,2,7H2,1H3,(H,15,16).
What are the key properties of 2-(2-ethoxycarbonylimidazo[1,2-a]pyridin-3-yl)acetic acid?
2-(2-ethoxycarbonylimidazo[1,2-a]pyridin-3-yl)acetic acid has a molecular weight of 248.24 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxycarbonylimidazo[1,2-a]pyridin-3-yl)acetic acid is sourced from PubChem (CID 134969291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).