ethyl 2-(3-methyl-2-pyridinyl)-2-oxoacetate

C10H11NO3 — CID 53419388

IUPACethyl 2-(3-methyl-2-pyridinyl)-2-oxoacetate
SMILESCCOC(=O)C(=O)c1ncccc1C
InChIInChI=1S/C10H11NO3/c1-3-14-10(13)9(12)8-7(2)5-4-6-11-8/h4-6H,3H2,1-2H3
InChIKeyJFURUUYHXFIZFN-UHFFFAOYSA-N
MW193.20 g/mol
LogP1.14
Rot. Bonds3

About ethyl 2-(3-methyl-2-pyridinyl)-2-oxoacetate

ethyl 2-(3-methyl-2-pyridinyl)-2-oxoacetate (PubChem CID 53419388) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is ethyl 2-(3-methyl-2-pyridinyl)-2-oxoacetate.

Molecular Properties

Compound Nameethyl 2-(3-methyl-2-pyridinyl)-2-oxoacetate
PubChem CID53419388
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Nameethyl 2-(3-methyl-2-pyridinyl)-2-oxoacetate
SMILESCCOC(=O)C(=O)c1ncccc1C
InChIInChI=1S/C10H11NO3/c1-3-14-10(13)9(12)8-7(2)5-4-6-11-8/h4-6H,3H2,1-2H3
InChIKeyJFURUUYHXFIZFN-UHFFFAOYSA-N
XLogP1.14
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethyl 2-(3-methyl-2-pyridinyl)-2-oxoacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 3-hydroxy-3-(3-methyl-2-pyridinyl)prop-2-enoate
CID 170923978
ethyl 2-(2,6-dimethylphenyl)-2-oxoacetate
CID 24722257
ethyl 3-aminopyridine-2-carboxylate
CID 565054
ethyl (Z)-2-fluoro-3-(3-methyl-2-pyridinyl)prop-2-enoate
CID 170619156
ethane;methyl 3-methylpyridine-2-carboxylate
CID 166536861
ethane;ethyl 3-aminopyridine-2-carboxylate
CID 143635646
ethyl 3-fluoropyridine-2-carboxylate
CID 46311381
3-methylpyridine-2-carboxylic acid;oxygen(2-);vanadium(4+)
CID 10058713
2-bromo-1-(3-methyl-2-pyridinyl)propan-1-one
CID 71428247
ethyl (E)-2-cyano-3-(3-methyl-2-pyridinyl)prop-2-enoate
CID 167037200
ethyl 2-(1-methylpyrrolo[3,2-b]pyridin-3-yl)-2-oxoacetate
CID 121003422
2-(3-methyl-2-pyridinyl)-2-oxoacetaldehyde
CID 130026238

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-methyl-2-pyridinyl)-2-oxoacetate?
The IUPAC name of ethyl 2-(3-methyl-2-pyridinyl)-2-oxoacetate (CID 53419388) is ethyl 2-(3-methyl-2-pyridinyl)-2-oxoacetate.
What is the SMILES notation for ethyl 2-(3-methyl-2-pyridinyl)-2-oxoacetate?
The canonical SMILES for ethyl 2-(3-methyl-2-pyridinyl)-2-oxoacetate is CCOC(=O)C(=O)c1ncccc1C.
What is the InChIKey of ethyl 2-(3-methyl-2-pyridinyl)-2-oxoacetate?
The InChIKey is JFURUUYHXFIZFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c1-3-14-10(13)9(12)8-7(2)5-4-6-11-8/h4-6H,3H2,1-2H3.
What are the key properties of ethyl 2-(3-methyl-2-pyridinyl)-2-oxoacetate?
ethyl 2-(3-methyl-2-pyridinyl)-2-oxoacetate has a molecular weight of 193.20 g/mol, XLogP of 1.14, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-methyl-2-pyridinyl)-2-oxoacetate is sourced from PubChem (CID 53419388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).