methyl 1-[[2-(4-fluorophenyl)phenyl]methyl]-2-oxopyridine-3-carboxylate

C20H16FNO3 — CID 69271403

IUPACmethyl 1-[[2-(4-fluorophenyl)phenyl]methyl]-2-oxopyridine-3-carboxylate
SMILESCOC(=O)c1cccn(Cc2ccccc2-c2ccc(F)cc2)c1=O
InChIInChI=1S/C20H16FNO3/c1-25-20(24)18-7-4-12-22(19(18)23)13-15-5-2-3-6-17(15)14-8-10-16(21)11-9-14/h2-12H,13H2,1H3
InChIKeyQPCXTUIMFHSXIW-UHFFFAOYSA-N
MW337.35 g/mol
LogP3.49
Rot. Bonds4

About methyl 1-[[2-(4-fluorophenyl)phenyl]methyl]-2-oxopyridine-3-carboxylate

methyl 1-[[2-(4-fluorophenyl)phenyl]methyl]-2-oxopyridine-3-carboxylate (PubChem CID 69271403) has the molecular formula C20H16FNO3 and a molecular weight of 337.35 g/mol. Its IUPAC name is methyl 1-[[2-(4-fluorophenyl)phenyl]methyl]-2-oxopyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-[[2-(4-fluorophenyl)phenyl]methyl]-2-oxopyridine-3-carboxylate
PubChem CID69271403
Molecular FormulaC20H16FNO3
Molecular Weight337.35 g/mol
Exact Mass337.11
IUPAC Namemethyl 1-[[2-(4-fluorophenyl)phenyl]methyl]-2-oxopyridine-3-carboxylate
SMILESCOC(=O)c1cccn(Cc2ccccc2-c2ccc(F)cc2)c1=O
InChIInChI=1S/C20H16FNO3/c1-25-20(24)18-7-4-12-22(19(18)23)13-15-5-2-3-6-17(15)14-8-10-16(21)11-9-14/h2-12H,13H2,1H3
InChIKeyQPCXTUIMFHSXIW-UHFFFAOYSA-N
XLogP3.49
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.35
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 1-[[2-(4-fluorophenyl)phenyl]methyl]-2-oxopyridine-3-carboxylate?
The IUPAC name of methyl 1-[[2-(4-fluorophenyl)phenyl]methyl]-2-oxopyridine-3-carboxylate (CID 69271403) is methyl 1-[[2-(4-fluorophenyl)phenyl]methyl]-2-oxopyridine-3-carboxylate.
What is the SMILES notation for methyl 1-[[2-(4-fluorophenyl)phenyl]methyl]-2-oxopyridine-3-carboxylate?
The canonical SMILES for methyl 1-[[2-(4-fluorophenyl)phenyl]methyl]-2-oxopyridine-3-carboxylate is COC(=O)c1cccn(Cc2ccccc2-c2ccc(F)cc2)c1=O.
What is the InChIKey of methyl 1-[[2-(4-fluorophenyl)phenyl]methyl]-2-oxopyridine-3-carboxylate?
The InChIKey is QPCXTUIMFHSXIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FNO3/c1-25-20(24)18-7-4-12-22(19(18)23)13-15-5-2-3-6-17(15)14-8-10-16(21)11-9-14/h2-12H,13H2,1H3.
What are the key properties of methyl 1-[[2-(4-fluorophenyl)phenyl]methyl]-2-oxopyridine-3-carboxylate?
methyl 1-[[2-(4-fluorophenyl)phenyl]methyl]-2-oxopyridine-3-carboxylate has a molecular weight of 337.35 g/mol, XLogP of 3.49, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[[2-(4-fluorophenyl)phenyl]methyl]-2-oxopyridine-3-carboxylate is sourced from PubChem (CID 69271403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).