1-(difluoromethyl)-3-methylpyridin-2-one

C7H7F2NO — CID 86249602

IUPAC1-(difluoromethyl)-3-methylpyridin-2-one
SMILESCc1cccn(C(F)F)c1=O
InChIInChI=1S/C7H7F2NO/c1-5-3-2-4-10(6(5)11)7(8)9/h2-4,7H,1H3
InChIKeyBZDUSMZVZJGVKL-UHFFFAOYSA-N
MW159.13 g/mol
LogP1.55
Rot. Bonds1

About 1-(difluoromethyl)-3-methylpyridin-2-one

1-(difluoromethyl)-3-methylpyridin-2-one (PubChem CID 86249602) has the molecular formula C7H7F2NO and a molecular weight of 159.13 g/mol. Its IUPAC name is 1-(difluoromethyl)-3-methylpyridin-2-one.

Molecular Properties

Compound Name1-(difluoromethyl)-3-methylpyridin-2-one
PubChem CID86249602
Molecular FormulaC7H7F2NO
Molecular Weight159.13 g/mol
Exact Mass159.05
IUPAC Name1-(difluoromethyl)-3-methylpyridin-2-one
SMILESCc1cccn(C(F)F)c1=O
InChIInChI=1S/C7H7F2NO/c1-5-3-2-4-10(6(5)11)7(8)9/h2-4,7H,1H3
InChIKeyBZDUSMZVZJGVKL-UHFFFAOYSA-N
XLogP1.55
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.13
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-3-methylpyridin-2-one?
The IUPAC name of 1-(difluoromethyl)-3-methylpyridin-2-one (CID 86249602) is 1-(difluoromethyl)-3-methylpyridin-2-one.
What is the SMILES notation for 1-(difluoromethyl)-3-methylpyridin-2-one?
The canonical SMILES for 1-(difluoromethyl)-3-methylpyridin-2-one is Cc1cccn(C(F)F)c1=O.
What is the InChIKey of 1-(difluoromethyl)-3-methylpyridin-2-one?
The InChIKey is BZDUSMZVZJGVKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F2NO/c1-5-3-2-4-10(6(5)11)7(8)9/h2-4,7H,1H3.
What are the key properties of 1-(difluoromethyl)-3-methylpyridin-2-one?
1-(difluoromethyl)-3-methylpyridin-2-one has a molecular weight of 159.13 g/mol, XLogP of 1.55, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-3-methylpyridin-2-one is sourced from PubChem (CID 86249602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).