4-(difluoromethyl)-3,5-dimethyl-1H-pyridin-2-one

C8H9F2NO — CID 130101153

IUPAC4-(difluoromethyl)-3,5-dimethyl-1H-pyridin-2-one
SMILESCc1c[nH]c(=O)c(C)c1C(F)F
InChIInChI=1S/C8H9F2NO/c1-4-3-11-8(12)5(2)6(4)7(9)10/h3,7H,1-2H3,(H,11,12)
InChIKeyZPXWXGGQIOETBL-UHFFFAOYSA-N
MW173.16 g/mol
LogP1.93
Rot. Bonds1

About 4-(difluoromethyl)-3,5-dimethyl-1H-pyridin-2-one

4-(difluoromethyl)-3,5-dimethyl-1H-pyridin-2-one (PubChem CID 130101153) has the molecular formula C8H9F2NO and a molecular weight of 173.16 g/mol. Its IUPAC name is 4-(difluoromethyl)-3,5-dimethyl-1H-pyridin-2-one.

Molecular Properties

Compound Name4-(difluoromethyl)-3,5-dimethyl-1H-pyridin-2-one
PubChem CID130101153
Molecular FormulaC8H9F2NO
Molecular Weight173.16 g/mol
Exact Mass173.07
IUPAC Name4-(difluoromethyl)-3,5-dimethyl-1H-pyridin-2-one
SMILESCc1c[nH]c(=O)c(C)c1C(F)F
InChIInChI=1S/C8H9F2NO/c1-4-3-11-8(12)5(2)6(4)7(9)10/h3,7H,1-2H3,(H,11,12)
InChIKeyZPXWXGGQIOETBL-UHFFFAOYSA-N
XLogP1.93
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.16
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(difluoromethyl)-3-methyl-5-nitro-1H-pyridin-2-one
CID 118812631
3-(difluoromethyl)-5-hydroxy-4-methyl-1H-pyridin-2-one
CID 130100101
2-[4-(difluoromethyl)-5-methyl-6-oxo-1H-pyridin-3-yl]acetonitrile
CID 130083854
3-fluoro-4,5-dimethyl-1H-pyridin-2-one
CID 151411047
5-(difluoromethyl)-3-fluoro-4-methyl-1H-pyridin-2-one
CID 130079323
3-(difluoromethyl)-2-(hydroxymethyl)-5-methyl-1H-pyridin-4-one
CID 130083878
3-amino-5-(difluoromethyl)-4-methyl-1H-pyridin-2-one
CID 130104590
4-amino-5-methyl-3-propan-2-yl-1H-pyridin-2-one
CID 169246666
ethyl 2-[5-(difluoromethyl)-4-methyl-6-oxo-1H-pyridin-3-yl]acetate
CID 133103019
2-[5-(difluoromethyl)-3-methyl-2-oxo-1H-pyridin-4-yl]acetic acid
CID 130084045
4-(difluoromethyl)-5-fluoro-3-iodo-1H-pyridin-2-one
CID 118812570
3-chloro-4-(difluoromethyl)-5-hydroxy-1H-pyridin-2-one
CID 130100000

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-3,5-dimethyl-1H-pyridin-2-one?
The IUPAC name of 4-(difluoromethyl)-3,5-dimethyl-1H-pyridin-2-one (CID 130101153) is 4-(difluoromethyl)-3,5-dimethyl-1H-pyridin-2-one.
What is the SMILES notation for 4-(difluoromethyl)-3,5-dimethyl-1H-pyridin-2-one?
The canonical SMILES for 4-(difluoromethyl)-3,5-dimethyl-1H-pyridin-2-one is Cc1c[nH]c(=O)c(C)c1C(F)F.
What is the InChIKey of 4-(difluoromethyl)-3,5-dimethyl-1H-pyridin-2-one?
The InChIKey is ZPXWXGGQIOETBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2NO/c1-4-3-11-8(12)5(2)6(4)7(9)10/h3,7H,1-2H3,(H,11,12).
What are the key properties of 4-(difluoromethyl)-3,5-dimethyl-1H-pyridin-2-one?
4-(difluoromethyl)-3,5-dimethyl-1H-pyridin-2-one has a molecular weight of 173.16 g/mol, XLogP of 1.93, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-3,5-dimethyl-1H-pyridin-2-one is sourced from PubChem (CID 130101153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).