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

C19H14FNO3 — CID 90425504

IUPAC[4-(2-fluorophenyl)phenyl]methyl 2-oxopyridine-1-carboxylate
SMILESO=C(OCc1ccc(-c2ccccc2F)cc1)n1ccccc1=O
InChIInChI=1S/C19H14FNO3/c20-17-6-2-1-5-16(17)15-10-8-14(9-11-15)13-24-19(23)21-12-4-3-7-18(21)22/h1-12H,13H2
InChIKeySGRNPSRXIAGCQU-UHFFFAOYSA-N
MW323.32 g/mol
LogP3.84
Rot. Bonds3

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

[4-(2-fluorophenyl)phenyl]methyl 2-oxopyridine-1-carboxylate (PubChem CID 90425504) has the molecular formula C19H14FNO3 and a molecular weight of 323.32 g/mol. Its IUPAC name is [4-(2-fluorophenyl)phenyl]methyl 2-oxopyridine-1-carboxylate.

Molecular Properties

Compound Name[4-(2-fluorophenyl)phenyl]methyl 2-oxopyridine-1-carboxylate
PubChem CID90425504
Molecular FormulaC19H14FNO3
Molecular Weight323.32 g/mol
Exact Mass323.10
IUPAC Name[4-(2-fluorophenyl)phenyl]methyl 2-oxopyridine-1-carboxylate
SMILESO=C(OCc1ccc(-c2ccccc2F)cc1)n1ccccc1=O
InChIInChI=1S/C19H14FNO3/c20-17-6-2-1-5-16(17)15-10-8-14(9-11-15)13-24-19(23)21-12-4-3-7-18(21)22/h1-12H,13H2
InChIKeySGRNPSRXIAGCQU-UHFFFAOYSA-N
XLogP3.84
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.32
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(2-fluorophenyl)phenyl]methyl 2-oxopyridine-1-carboxylate?
The IUPAC name of [4-(2-fluorophenyl)phenyl]methyl 2-oxopyridine-1-carboxylate (CID 90425504) is [4-(2-fluorophenyl)phenyl]methyl 2-oxopyridine-1-carboxylate.
What is the SMILES notation for [4-(2-fluorophenyl)phenyl]methyl 2-oxopyridine-1-carboxylate?
The canonical SMILES for [4-(2-fluorophenyl)phenyl]methyl 2-oxopyridine-1-carboxylate is O=C(OCc1ccc(-c2ccccc2F)cc1)n1ccccc1=O.
What is the InChIKey of [4-(2-fluorophenyl)phenyl]methyl 2-oxopyridine-1-carboxylate?
The InChIKey is SGRNPSRXIAGCQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FNO3/c20-17-6-2-1-5-16(17)15-10-8-14(9-11-15)13-24-19(23)21-12-4-3-7-18(21)22/h1-12H,13H2.
What are the key properties of [4-(2-fluorophenyl)phenyl]methyl 2-oxopyridine-1-carboxylate?
[4-(2-fluorophenyl)phenyl]methyl 2-oxopyridine-1-carboxylate has a molecular weight of 323.32 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-fluorophenyl)phenyl]methyl 2-oxopyridine-1-carboxylate is sourced from PubChem (CID 90425504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).