1-(difluoromethyl)-5-(4-fluorophenyl)pyridin-2-one

C12H8F3NO — CID 162414338

IUPAC1-(difluoromethyl)-5-(4-fluorophenyl)pyridin-2-one
SMILESO=c1ccc(-c2ccc(F)cc2)cn1C(F)F
InChIInChI=1S/C12H8F3NO/c13-10-4-1-8(2-5-10)9-3-6-11(17)16(7-9)12(14)15/h1-7,12H
InChIKeyMDEQRYVDAKVYPC-UHFFFAOYSA-N
MW239.20 g/mol
LogP3.05
Rot. Bonds2

About 1-(difluoromethyl)-5-(4-fluorophenyl)pyridin-2-one

1-(difluoromethyl)-5-(4-fluorophenyl)pyridin-2-one (PubChem CID 162414338) has the molecular formula C12H8F3NO and a molecular weight of 239.20 g/mol. Its IUPAC name is 1-(difluoromethyl)-5-(4-fluorophenyl)pyridin-2-one.

Molecular Properties

Compound Name1-(difluoromethyl)-5-(4-fluorophenyl)pyridin-2-one
PubChem CID162414338
Molecular FormulaC12H8F3NO
Molecular Weight239.20 g/mol
Exact Mass239.06
IUPAC Name1-(difluoromethyl)-5-(4-fluorophenyl)pyridin-2-one
SMILESO=c1ccc(-c2ccc(F)cc2)cn1C(F)F
InChIInChI=1S/C12H8F3NO/c13-10-4-1-8(2-5-10)9-3-6-11(17)16(7-9)12(14)15/h1-7,12H
InChIKeyMDEQRYVDAKVYPC-UHFFFAOYSA-N
XLogP3.05
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.20
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-5-(4-fluorophenyl)pyridin-2-one?
The IUPAC name of 1-(difluoromethyl)-5-(4-fluorophenyl)pyridin-2-one (CID 162414338) is 1-(difluoromethyl)-5-(4-fluorophenyl)pyridin-2-one.
What is the SMILES notation for 1-(difluoromethyl)-5-(4-fluorophenyl)pyridin-2-one?
The canonical SMILES for 1-(difluoromethyl)-5-(4-fluorophenyl)pyridin-2-one is O=c1ccc(-c2ccc(F)cc2)cn1C(F)F.
What is the InChIKey of 1-(difluoromethyl)-5-(4-fluorophenyl)pyridin-2-one?
The InChIKey is MDEQRYVDAKVYPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3NO/c13-10-4-1-8(2-5-10)9-3-6-11(17)16(7-9)12(14)15/h1-7,12H.
What are the key properties of 1-(difluoromethyl)-5-(4-fluorophenyl)pyridin-2-one?
1-(difluoromethyl)-5-(4-fluorophenyl)pyridin-2-one has a molecular weight of 239.20 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-5-(4-fluorophenyl)pyridin-2-one is sourced from PubChem (CID 162414338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).