3-(difluoromethyl)-1H-pyridin-2-one

C6H5F2NO — CID 70397555

IUPAC3-(difluoromethyl)-1H-pyridin-2-one
SMILESO=c1[nH]cccc1C(F)F
InChIInChI=1S/C6H5F2NO/c7-5(8)4-2-1-3-9-6(4)10/h1-3,5H,(H,9,10)
InChIKeyUOVCWSJGWRBCOW-UHFFFAOYSA-N
MW145.11 g/mol
LogP1.31
Rot. Bonds1

About 3-(difluoromethyl)-1H-pyridin-2-one

3-(difluoromethyl)-1H-pyridin-2-one (PubChem CID 70397555) has the molecular formula C6H5F2NO and a molecular weight of 145.11 g/mol. Its IUPAC name is 3-(difluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(difluoromethyl)-1H-pyridin-2-one
PubChem CID70397555
Molecular FormulaC6H5F2NO
Molecular Weight145.11 g/mol
Exact Mass145.03
IUPAC Name3-(difluoromethyl)-1H-pyridin-2-one
SMILESO=c1[nH]cccc1C(F)F
InChIInChI=1S/C6H5F2NO/c7-5(8)4-2-1-3-9-6(4)10/h1-3,5H,(H,9,10)
InChIKeyUOVCWSJGWRBCOW-UHFFFAOYSA-N
XLogP1.31
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.11
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 3-(difluoromethyl)-1H-pyridin-2-one (CID 70397555) is 3-(difluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-(difluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 3-(difluoromethyl)-1H-pyridin-2-one is O=c1[nH]cccc1C(F)F.
What is the InChIKey of 3-(difluoromethyl)-1H-pyridin-2-one?
The InChIKey is UOVCWSJGWRBCOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F2NO/c7-5(8)4-2-1-3-9-6(4)10/h1-3,5H,(H,9,10).
What are the key properties of 3-(difluoromethyl)-1H-pyridin-2-one?
3-(difluoromethyl)-1H-pyridin-2-one has a molecular weight of 145.11 g/mol, XLogP of 1.31, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 70397555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).