methyl 5-[(4-fluorophenyl)methyl]-2-methyl-6-oxo-1H-pyridine-3-carboxylate

C15H14FNO3 — CID 129080058

IUPACmethyl 5-[(4-fluorophenyl)methyl]-2-methyl-6-oxo-1H-pyridine-3-carboxylate
SMILESCOC(=O)c1cc(Cc2ccc(F)cc2)c(=O)[nH]c1C
InChIInChI=1S/C15H14FNO3/c1-9-13(15(19)20-2)8-11(14(18)17-9)7-10-3-5-12(16)6-4-10/h3-6,8H,7H2,1-2H3,(H,17,18)
InChIKeyJPDJAAIUNRMAKO-UHFFFAOYSA-N
MW275.28 g/mol
LogP2.20
Rot. Bonds3

About methyl 5-[(4-fluorophenyl)methyl]-2-methyl-6-oxo-1H-pyridine-3-carboxylate

methyl 5-[(4-fluorophenyl)methyl]-2-methyl-6-oxo-1H-pyridine-3-carboxylate (PubChem CID 129080058) has the molecular formula C15H14FNO3 and a molecular weight of 275.28 g/mol. Its IUPAC name is methyl 5-[(4-fluorophenyl)methyl]-2-methyl-6-oxo-1H-pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(4-fluorophenyl)methyl]-2-methyl-6-oxo-1H-pyridine-3-carboxylate
PubChem CID129080058
Molecular FormulaC15H14FNO3
Molecular Weight275.28 g/mol
Exact Mass275.10
IUPAC Namemethyl 5-[(4-fluorophenyl)methyl]-2-methyl-6-oxo-1H-pyridine-3-carboxylate
SMILESCOC(=O)c1cc(Cc2ccc(F)cc2)c(=O)[nH]c1C
InChIInChI=1S/C15H14FNO3/c1-9-13(15(19)20-2)8-11(14(18)17-9)7-10-3-5-12(16)6-4-10/h3-6,8H,7H2,1-2H3,(H,17,18)
InChIKeyJPDJAAIUNRMAKO-UHFFFAOYSA-N
XLogP2.20
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 5-[(4-fluorophenyl)methyl]-2-methyl-6-oxo-1H-pyridine-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

Frequently Asked Questions

What is the IUPAC name of methyl 5-[(4-fluorophenyl)methyl]-2-methyl-6-oxo-1H-pyridine-3-carboxylate?
The IUPAC name of methyl 5-[(4-fluorophenyl)methyl]-2-methyl-6-oxo-1H-pyridine-3-carboxylate (CID 129080058) is methyl 5-[(4-fluorophenyl)methyl]-2-methyl-6-oxo-1H-pyridine-3-carboxylate.
What is the SMILES notation for methyl 5-[(4-fluorophenyl)methyl]-2-methyl-6-oxo-1H-pyridine-3-carboxylate?
The canonical SMILES for methyl 5-[(4-fluorophenyl)methyl]-2-methyl-6-oxo-1H-pyridine-3-carboxylate is COC(=O)c1cc(Cc2ccc(F)cc2)c(=O)[nH]c1C.
What is the InChIKey of methyl 5-[(4-fluorophenyl)methyl]-2-methyl-6-oxo-1H-pyridine-3-carboxylate?
The InChIKey is JPDJAAIUNRMAKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO3/c1-9-13(15(19)20-2)8-11(14(18)17-9)7-10-3-5-12(16)6-4-10/h3-6,8H,7H2,1-2H3,(H,17,18).
What are the key properties of methyl 5-[(4-fluorophenyl)methyl]-2-methyl-6-oxo-1H-pyridine-3-carboxylate?
methyl 5-[(4-fluorophenyl)methyl]-2-methyl-6-oxo-1H-pyridine-3-carboxylate has a molecular weight of 275.28 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(4-fluorophenyl)methyl]-2-methyl-6-oxo-1H-pyridine-3-carboxylate is sourced from PubChem (CID 129080058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).