1-(difluoromethyl)pyridin-4-one

C6H5F2NO — CID 116622262

IUPAC1-(difluoromethyl)pyridin-4-one
SMILESO=c1ccn(C(F)F)cc1
InChIInChI=1S/C6H5F2NO/c7-6(8)9-3-1-5(10)2-4-9/h1-4,6H
InChIKeyWXFMBBFEHRYDPS-UHFFFAOYSA-N
MW145.11 g/mol
LogP1.24
Rot. Bonds1

About 1-(difluoromethyl)pyridin-4-one

1-(difluoromethyl)pyridin-4-one (PubChem CID 116622262) has the molecular formula C6H5F2NO and a molecular weight of 145.11 g/mol. Its IUPAC name is 1-(difluoromethyl)pyridin-4-one.

Molecular Properties

Compound Name1-(difluoromethyl)pyridin-4-one
PubChem CID116622262
Molecular FormulaC6H5F2NO
Molecular Weight145.11 g/mol
Exact Mass145.03
IUPAC Name1-(difluoromethyl)pyridin-4-one
SMILESO=c1ccn(C(F)F)cc1
InChIInChI=1S/C6H5F2NO/c7-6(8)9-3-1-5(10)2-4-9/h1-4,6H
InChIKeyWXFMBBFEHRYDPS-UHFFFAOYSA-N
XLogP1.24
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.11
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)pyridin-4-one?
The IUPAC name of 1-(difluoromethyl)pyridin-4-one (CID 116622262) is 1-(difluoromethyl)pyridin-4-one.
What is the SMILES notation for 1-(difluoromethyl)pyridin-4-one?
The canonical SMILES for 1-(difluoromethyl)pyridin-4-one is O=c1ccn(C(F)F)cc1.
What is the InChIKey of 1-(difluoromethyl)pyridin-4-one?
The InChIKey is WXFMBBFEHRYDPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F2NO/c7-6(8)9-3-1-5(10)2-4-9/h1-4,6H.
What are the key properties of 1-(difluoromethyl)pyridin-4-one?
1-(difluoromethyl)pyridin-4-one has a molecular weight of 145.11 g/mol, XLogP of 1.24, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)pyridin-4-one is sourced from PubChem (CID 116622262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).