ethyl 1-(2-methylphenyl)-6-oxopyridine-3-carboxylate

C15H15NO3 — CID 11499855

IUPACethyl 1-(2-methylphenyl)-6-oxopyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(=O)n(-c2ccccc2C)c1
InChIInChI=1S/C15H15NO3/c1-3-19-15(18)12-8-9-14(17)16(10-12)13-7-5-4-6-11(13)2/h4-10H,3H2,1-2H3
InChIKeyRXBOKQZHUGBZKT-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.32
Rot. Bonds3

About ethyl 1-(2-methylphenyl)-6-oxopyridine-3-carboxylate

ethyl 1-(2-methylphenyl)-6-oxopyridine-3-carboxylate (PubChem CID 11499855) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is ethyl 1-(2-methylphenyl)-6-oxopyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2-methylphenyl)-6-oxopyridine-3-carboxylate
PubChem CID11499855
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Nameethyl 1-(2-methylphenyl)-6-oxopyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(=O)n(-c2ccccc2C)c1
InChIInChI=1S/C15H15NO3/c1-3-19-15(18)12-8-9-14(17)16(10-12)13-7-5-4-6-11(13)2/h4-10H,3H2,1-2H3
InChIKeyRXBOKQZHUGBZKT-UHFFFAOYSA-N
XLogP2.32
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 1-(2-methylphenyl)-6-oxopyridine-3-carboxylate 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 1-(4-ethoxycarbonylphenyl)-6-oxopyridine-3-carboxylate
CID 11278480
triethyl 1-(2-methylphenyl)-4-oxopyridine-2,3,5-tricarboxylate
CID 162715184
ethyl 1-(2-methylphenyl)pyrrole-2-carboxylate
CID 11436139
ethyl 1-tert-butyl-6-oxopyridine-3-carboxylate
CID 67056855
ethyl 1-(3-acetamidophenyl)-6-oxopyridine-3-carboxylate
CID 167473354
methyl 1-(2-fluorophenyl)-6-oxopyridine-3-carboxylate
CID 163348793
ethyl 6-oxo-1-(3-phenylmethoxy-2-pyridinyl)pyridine-3-carboxylate
CID 162402866
ethyl 6-oxo-1-[3-(2-oxo-1H-imidazol-3-yl)phenyl]pyridine-3-carboxylate
CID 167473466
ethyl 1-methyl-2-oxoquinoline-7-carboxylate
CID 121231685
ethyl 6-oxo-1-[3-(2H-triazol-4-yl)phenyl]pyridine-3-carboxylate
CID 167473451
ethyl 5-methyl-1-phenylpyrrole-3-carboxylate
CID 86012716
1,1'-biphenyl;diethyl benzene-1,4-dicarboxylate
CID 174703430

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2-methylphenyl)-6-oxopyridine-3-carboxylate?
The IUPAC name of ethyl 1-(2-methylphenyl)-6-oxopyridine-3-carboxylate (CID 11499855) is ethyl 1-(2-methylphenyl)-6-oxopyridine-3-carboxylate.
What is the SMILES notation for ethyl 1-(2-methylphenyl)-6-oxopyridine-3-carboxylate?
The canonical SMILES for ethyl 1-(2-methylphenyl)-6-oxopyridine-3-carboxylate is CCOC(=O)c1ccc(=O)n(-c2ccccc2C)c1.
What is the InChIKey of ethyl 1-(2-methylphenyl)-6-oxopyridine-3-carboxylate?
The InChIKey is RXBOKQZHUGBZKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c1-3-19-15(18)12-8-9-14(17)16(10-12)13-7-5-4-6-11(13)2/h4-10H,3H2,1-2H3.
What are the key properties of ethyl 1-(2-methylphenyl)-6-oxopyridine-3-carboxylate?
ethyl 1-(2-methylphenyl)-6-oxopyridine-3-carboxylate has a molecular weight of 257.29 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2-methylphenyl)-6-oxopyridine-3-carboxylate is sourced from PubChem (CID 11499855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).