ethyl 2-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-oxoacetate

C12H12N2O3 — CID 75480680

IUPACethyl 2-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-oxoacetate
SMILESCCOC(=O)C(=O)c1c(C)nc2ccccn12
InChIInChI=1S/C12H12N2O3/c1-3-17-12(16)11(15)10-8(2)13-9-6-4-5-7-14(9)10/h4-7H,3H2,1-2H3
InChIKeyZBMNHCYFNHVYCG-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.39
Rot. Bonds3

About ethyl 2-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-oxoacetate

ethyl 2-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-oxoacetate (PubChem CID 75480680) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is ethyl 2-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-oxoacetate.

Molecular Properties

Compound Nameethyl 2-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-oxoacetate
PubChem CID75480680
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Nameethyl 2-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-oxoacetate
SMILESCCOC(=O)C(=O)c1c(C)nc2ccccn12
InChIInChI=1S/C12H12N2O3/c1-3-17-12(16)11(15)10-8(2)13-9-6-4-5-7-14(9)10/h4-7H,3H2,1-2H3
InChIKeyZBMNHCYFNHVYCG-UHFFFAOYSA-N
XLogP1.39
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-methylimidazo[1,2-a]pyridine-3-carboxylate;hydrochloride
CID 52988808
ethyl 2-bromoimidazo[1,2-a]pyridine-3-carboxylate
CID 131383872
N-ethyl-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 789702
2-(methylamino)-1-(2-methylimidazo[1,2-a]pyridin-3-yl)ethanone
CID 84777303
diethyl 2-[[(2-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)amino]methylidene]propanedioate
CID 15320945
ethane;ethyl (E)-3-(2-methylimidazo[1,2-a]pyridin-3-yl)prop-2-enoate
CID 91168931
ethyl 2-(4-hydroxyphenyl)imidazo[1,2-a]pyridine-3-carboxylate
CID 21280357
3-methyl-2-[(2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]pentanoic acid
CID 82032893
ethyl 2-(2-methoxyphenyl)imidazo[1,2-a]pyridine-3-carboxylate
CID 10108596
2-methyl-N-[4-(propanoylamino)phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 649714
2-(2-ethoxycarbonylimidazo[1,2-a]pyridin-3-yl)acetic acid
CID 134969291
1-(2-ethylimidazo[1,2-a]pyridin-3-yl)ethanone
CID 76849304

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-oxoacetate?
The IUPAC name of ethyl 2-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-oxoacetate (CID 75480680) is ethyl 2-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-oxoacetate.
What is the SMILES notation for ethyl 2-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-oxoacetate?
The canonical SMILES for ethyl 2-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-oxoacetate is CCOC(=O)C(=O)c1c(C)nc2ccccn12.
What is the InChIKey of ethyl 2-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-oxoacetate?
The InChIKey is ZBMNHCYFNHVYCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c1-3-17-12(16)11(15)10-8(2)13-9-6-4-5-7-14(9)10/h4-7H,3H2,1-2H3.
What are the key properties of ethyl 2-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-oxoacetate?
ethyl 2-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-oxoacetate has a molecular weight of 232.24 g/mol, XLogP of 1.39, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-oxoacetate is sourced from PubChem (CID 75480680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).