2,2-difluoroethyl 1-(4-fluorophenyl)-6-oxopyridine-3-carboxylate

C14H10F3NO3 — CID 71974890

IUPAC2,2-difluoroethyl 1-(4-fluorophenyl)-6-oxopyridine-3-carboxylate
SMILESO=C(OCC(F)F)c1ccc(=O)n(-c2ccc(F)cc2)c1
InChIInChI=1S/C14H10F3NO3/c15-10-2-4-11(5-3-10)18-7-9(1-6-13(18)19)14(20)21-8-12(16)17/h1-7,12H,8H2
InChIKeyFRVGSOXZJUKUPB-UHFFFAOYSA-N
MW297.23 g/mol
LogP2.40
Rot. Bonds4

About 2,2-difluoroethyl 1-(4-fluorophenyl)-6-oxopyridine-3-carboxylate

2,2-difluoroethyl 1-(4-fluorophenyl)-6-oxopyridine-3-carboxylate (PubChem CID 71974890) has the molecular formula C14H10F3NO3 and a molecular weight of 297.23 g/mol. Its IUPAC name is 2,2-difluoroethyl 1-(4-fluorophenyl)-6-oxopyridine-3-carboxylate.

Molecular Properties

Compound Name2,2-difluoroethyl 1-(4-fluorophenyl)-6-oxopyridine-3-carboxylate
PubChem CID71974890
Molecular FormulaC14H10F3NO3
Molecular Weight297.23 g/mol
Exact Mass297.06
IUPAC Name2,2-difluoroethyl 1-(4-fluorophenyl)-6-oxopyridine-3-carboxylate
SMILESO=C(OCC(F)F)c1ccc(=O)n(-c2ccc(F)cc2)c1
InChIInChI=1S/C14H10F3NO3/c15-10-2-4-11(5-3-10)18-7-9(1-6-13(18)19)14(20)21-8-12(16)17/h1-7,12H,8H2
InChIKeyFRVGSOXZJUKUPB-UHFFFAOYSA-N
XLogP2.40
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.23
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoroethyl 1-(4-fluorophenyl)-6-oxopyridine-3-carboxylate?
The IUPAC name of 2,2-difluoroethyl 1-(4-fluorophenyl)-6-oxopyridine-3-carboxylate (CID 71974890) is 2,2-difluoroethyl 1-(4-fluorophenyl)-6-oxopyridine-3-carboxylate.
What is the SMILES notation for 2,2-difluoroethyl 1-(4-fluorophenyl)-6-oxopyridine-3-carboxylate?
The canonical SMILES for 2,2-difluoroethyl 1-(4-fluorophenyl)-6-oxopyridine-3-carboxylate is O=C(OCC(F)F)c1ccc(=O)n(-c2ccc(F)cc2)c1.
What is the InChIKey of 2,2-difluoroethyl 1-(4-fluorophenyl)-6-oxopyridine-3-carboxylate?
The InChIKey is FRVGSOXZJUKUPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3NO3/c15-10-2-4-11(5-3-10)18-7-9(1-6-13(18)19)14(20)21-8-12(16)17/h1-7,12H,8H2.
What are the key properties of 2,2-difluoroethyl 1-(4-fluorophenyl)-6-oxopyridine-3-carboxylate?
2,2-difluoroethyl 1-(4-fluorophenyl)-6-oxopyridine-3-carboxylate has a molecular weight of 297.23 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoroethyl 1-(4-fluorophenyl)-6-oxopyridine-3-carboxylate is sourced from PubChem (CID 71974890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).