5-(difluoromethyl)-3-fluoro-4-methyl-1H-pyridin-2-one

C7H6F3NO — CID 130079323

IUPAC5-(difluoromethyl)-3-fluoro-4-methyl-1H-pyridin-2-one
SMILESCc1c(C(F)F)c[nH]c(=O)c1F
InChIInChI=1S/C7H6F3NO/c1-3-4(6(9)10)2-11-7(12)5(3)8/h2,6H,1H3,(H,11,12)
InChIKeyXVVLHKBDMQBEAS-UHFFFAOYSA-N
MW177.12 g/mol
LogP1.76
Rot. Bonds1

About 5-(difluoromethyl)-3-fluoro-4-methyl-1H-pyridin-2-one

5-(difluoromethyl)-3-fluoro-4-methyl-1H-pyridin-2-one (PubChem CID 130079323) has the molecular formula C7H6F3NO and a molecular weight of 177.12 g/mol. Its IUPAC name is 5-(difluoromethyl)-3-fluoro-4-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(difluoromethyl)-3-fluoro-4-methyl-1H-pyridin-2-one
PubChem CID130079323
Molecular FormulaC7H6F3NO
Molecular Weight177.12 g/mol
Exact Mass177.04
IUPAC Name5-(difluoromethyl)-3-fluoro-4-methyl-1H-pyridin-2-one
SMILESCc1c(C(F)F)c[nH]c(=O)c1F
InChIInChI=1S/C7H6F3NO/c1-3-4(6(9)10)2-11-7(12)5(3)8/h2,6H,1H3,(H,11,12)
InChIKeyXVVLHKBDMQBEAS-UHFFFAOYSA-N
XLogP1.76
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.12
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-amino-5-(difluoromethyl)-4-methyl-1H-pyridin-2-one
CID 130104590
3-fluoro-4,5-dimethyl-1H-pyridin-2-one
CID 151411047
2-[5-(difluoromethyl)-4-methyl-2-oxo-1H-pyridin-3-yl]acetonitrile
CID 130083859
3-(aminomethyl)-5-(difluoromethyl)-4-fluoro-1H-pyridin-2-one
CID 130079387
3-(difluoromethyl)-6-fluoro-5-methyl-1H-pyridin-2-one
CID 130079332
2-[5-(difluoromethyl)-3-methyl-2-oxo-1H-pyridin-4-yl]acetic acid
CID 130084045
5-(difluoromethyl)-3,4-dihydroxy-1H-pyridin-2-one
CID 130088807
4-(difluoromethyl)-3,5-dimethyl-1H-pyridin-2-one
CID 130101153
3-amino-5-(difluoromethyl)-2-oxo-1H-pyridine-4-carboxylic acid
CID 130104913
3-chloro-5-(difluoromethyl)-4-methoxy-1H-pyridin-2-one
CID 130072290
3-(difluoromethyl)-5-hydroxy-4-methyl-1H-pyridin-2-one
CID 130100101
methyl 5-(difluoromethyl)-3-hydroxy-2-oxo-1H-pyridine-4-carboxylate
CID 130100268

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-3-fluoro-4-methyl-1H-pyridin-2-one?
The IUPAC name of 5-(difluoromethyl)-3-fluoro-4-methyl-1H-pyridin-2-one (CID 130079323) is 5-(difluoromethyl)-3-fluoro-4-methyl-1H-pyridin-2-one.
What is the SMILES notation for 5-(difluoromethyl)-3-fluoro-4-methyl-1H-pyridin-2-one?
The canonical SMILES for 5-(difluoromethyl)-3-fluoro-4-methyl-1H-pyridin-2-one is Cc1c(C(F)F)c[nH]c(=O)c1F.
What is the InChIKey of 5-(difluoromethyl)-3-fluoro-4-methyl-1H-pyridin-2-one?
The InChIKey is XVVLHKBDMQBEAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3NO/c1-3-4(6(9)10)2-11-7(12)5(3)8/h2,6H,1H3,(H,11,12).
What are the key properties of 5-(difluoromethyl)-3-fluoro-4-methyl-1H-pyridin-2-one?
5-(difluoromethyl)-3-fluoro-4-methyl-1H-pyridin-2-one has a molecular weight of 177.12 g/mol, XLogP of 1.76, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-3-fluoro-4-methyl-1H-pyridin-2-one is sourced from PubChem (CID 130079323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).