methyl 1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxylate

C14H11F2NO3 — CID 59362827

IUPACmethyl 1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxylate
SMILESCOC(=O)c1cccn(Cc2ccc(F)c(F)c2)c1=O
InChIInChI=1S/C14H11F2NO3/c1-20-14(19)10-3-2-6-17(13(10)18)8-9-4-5-11(15)12(16)7-9/h2-7H,8H2,1H3
InChIKeyKPTBRNBQIFSESB-UHFFFAOYSA-N
MW279.24 g/mol
LogP1.96
Rot. Bonds3

About methyl 1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxylate

methyl 1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxylate (PubChem CID 59362827) has the molecular formula C14H11F2NO3 and a molecular weight of 279.24 g/mol. Its IUPAC name is methyl 1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxylate
PubChem CID59362827
Molecular FormulaC14H11F2NO3
Molecular Weight279.24 g/mol
Exact Mass279.07
IUPAC Namemethyl 1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxylate
SMILESCOC(=O)c1cccn(Cc2ccc(F)c(F)c2)c1=O
InChIInChI=1S/C14H11F2NO3/c1-20-14(19)10-3-2-6-17(13(10)18)8-9-4-5-11(15)12(16)7-9/h2-7H,8H2,1H3
InChIKeyKPTBRNBQIFSESB-UHFFFAOYSA-N
XLogP1.96
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.24
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 1-[(3,4-difluorophenyl)methyl]-2-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

2-Oxo-1-[4-(Trifluoromethyl)Benzyl]-1,2-Dihydro-3-Pyridinecarboxylic Acid
CID 2775908
1-Methyl-2-oxo-5,6-diphenyl-1,2-dihydro-pyridine-3-carboxylic acid methyl ester
CID 10860149
1-Benzyl-2-oxo-1,2-dihydropyridine-3-carboxylic acid
CID 2764021
1,1-Dimethyl-5-[[3-(trifluoromethyl)phenyl]methyl]furo[3,4-c]pyridine-3,4-dione
CID 70686012
1-(2-Fluorobenzyl)-2-oxo-1,2-dihydropyridine-3-carboxylic acid
CID 16896687
Methyl 1,4-dibenzyl-2-oxopyridine-3-carboxylate
CID 57390343
Methyl 1-benzyl-2-oxo-4-phenylpyridine-3-carboxylate
CID 57393891
Methyl 1-benzyl-4-(4-methylphenyl)-2-oxopyridine-3-carboxylate
CID 57399106
Methyl 1-benzyl-4-(2-methylphenyl)-2-oxopyridine-3-carboxylate
CID 57402610
5-[2-(4-Fluorophenyl)ethyl]-1,1-dimethylfuro[3,4-c]pyridine-3,4-dione
CID 70692327
1-(3-Fluorobenzyl)-2-oxo-1,2-dihydropyridine-3-carboxylic acid
CID 16896682
1-(4-Fluoro-benzyl)-2-oxo-1,2-dihydro-pyridine-3-carboxylic acid
CID 16896683

Frequently Asked Questions

What is the IUPAC name of methyl 1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxylate?
The IUPAC name of methyl 1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxylate (CID 59362827) is methyl 1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxylate.
What is the SMILES notation for methyl 1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxylate?
The canonical SMILES for methyl 1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxylate is COC(=O)c1cccn(Cc2ccc(F)c(F)c2)c1=O.
What is the InChIKey of methyl 1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxylate?
The InChIKey is KPTBRNBQIFSESB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2NO3/c1-20-14(19)10-3-2-6-17(13(10)18)8-9-4-5-11(15)12(16)7-9/h2-7H,8H2,1H3.
What are the key properties of methyl 1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxylate?
methyl 1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxylate has a molecular weight of 279.24 g/mol, XLogP of 1.96, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxylate is sourced from PubChem (CID 59362827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).