4-(difluoromethyl)-5-methyl-1H-pyridin-2-one

C7H7F2NO — CID 118823504

IUPAC4-(difluoromethyl)-5-methyl-1H-pyridin-2-one
SMILESCc1c[nH]c(=O)cc1C(F)F
InChIInChI=1S/C7H7F2NO/c1-4-3-10-6(11)2-5(4)7(8)9/h2-3,7H,1H3,(H,10,11)
InChIKeyWJOZRJFONDWBEG-UHFFFAOYSA-N
MW159.13 g/mol
LogP1.62
Rot. Bonds1

About 4-(difluoromethyl)-5-methyl-1H-pyridin-2-one

4-(difluoromethyl)-5-methyl-1H-pyridin-2-one (PubChem CID 118823504) has the molecular formula C7H7F2NO and a molecular weight of 159.13 g/mol. Its IUPAC name is 4-(difluoromethyl)-5-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name4-(difluoromethyl)-5-methyl-1H-pyridin-2-one
PubChem CID118823504
Molecular FormulaC7H7F2NO
Molecular Weight159.13 g/mol
Exact Mass159.05
IUPAC Name4-(difluoromethyl)-5-methyl-1H-pyridin-2-one
SMILESCc1c[nH]c(=O)cc1C(F)F
InChIInChI=1S/C7H7F2NO/c1-4-3-10-6(11)2-5(4)7(8)9/h2-3,7H,1H3,(H,10,11)
InChIKeyWJOZRJFONDWBEG-UHFFFAOYSA-N
XLogP1.62
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.13
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-5-methyl-1H-pyridin-2-one?
The IUPAC name of 4-(difluoromethyl)-5-methyl-1H-pyridin-2-one (CID 118823504) is 4-(difluoromethyl)-5-methyl-1H-pyridin-2-one.
What is the SMILES notation for 4-(difluoromethyl)-5-methyl-1H-pyridin-2-one?
The canonical SMILES for 4-(difluoromethyl)-5-methyl-1H-pyridin-2-one is Cc1c[nH]c(=O)cc1C(F)F.
What is the InChIKey of 4-(difluoromethyl)-5-methyl-1H-pyridin-2-one?
The InChIKey is WJOZRJFONDWBEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F2NO/c1-4-3-10-6(11)2-5(4)7(8)9/h2-3,7H,1H3,(H,10,11).
What are the key properties of 4-(difluoromethyl)-5-methyl-1H-pyridin-2-one?
4-(difluoromethyl)-5-methyl-1H-pyridin-2-one has a molecular weight of 159.13 g/mol, XLogP of 1.62, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-5-methyl-1H-pyridin-2-one is sourced from PubChem (CID 118823504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).