6-(difluoromethyl)-2-oxo-1H-pyridine-3-carbonitrile

C7H4F2N2O — CID 130095836

IUPAC6-(difluoromethyl)-2-oxo-1H-pyridine-3-carbonitrile
SMILESN#Cc1ccc(C(F)F)[nH]c1=O
InChIInChI=1S/C7H4F2N2O/c8-6(9)5-2-1-4(3-10)7(12)11-5/h1-2,6H,(H,11,12)
InChIKeyLUIUNAAWYCOORB-UHFFFAOYSA-N
MW170.12 g/mol
LogP1.18
Rot. Bonds1

About 6-(difluoromethyl)-2-oxo-1H-pyridine-3-carbonitrile

6-(difluoromethyl)-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 130095836) has the molecular formula C7H4F2N2O and a molecular weight of 170.12 g/mol. Its IUPAC name is 6-(difluoromethyl)-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(difluoromethyl)-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID130095836
Molecular FormulaC7H4F2N2O
Molecular Weight170.12 g/mol
Exact Mass170.03
IUPAC Name6-(difluoromethyl)-2-oxo-1H-pyridine-3-carbonitrile
SMILESN#Cc1ccc(C(F)F)[nH]c1=O
InChIInChI=1S/C7H4F2N2O/c8-6(9)5-2-1-4(3-10)7(12)11-5/h1-2,6H,(H,11,12)
InChIKeyLUIUNAAWYCOORB-UHFFFAOYSA-N
XLogP1.18
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.12
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-Methyl-2-oxo-4-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile
CID 247440
3-Pyridinecarbonitrile, 1,2-dihydro-6-methyl-2-oxo-
CID 77919
2-Hydroxy-4-methyl-6-(trifluoromethyl)nicotinonitrile
CID 674145
1,2-Dihydro-2-oxo-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 14043509
2(1H)-Pyridinone, 6-methyl-3-(trifluoromethyl)-
CID 20767670
3-Methyl-6-(trifluoromethyl)-1,2-dihydropyridin-2-one
CID 59340901
6-(Difluoromethyl)-2-hydroxypyridine-3-carboxamide
CID 59828229
2-oxo-6-propan-2-yl-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile
CID 89690240
5-fluoro-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 90464040
5-Bromo-2-oxo-6-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile
CID 105534030
ethane;2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonitrile
CID 145551522
2-Methyl-6-oxo-5-(trifluoromethyl)-1,6-dihydropyridine-3-carbonitrile
CID 146583678

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 6-(difluoromethyl)-2-oxo-1H-pyridine-3-carbonitrile (CID 130095836) is 6-(difluoromethyl)-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 6-(difluoromethyl)-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 6-(difluoromethyl)-2-oxo-1H-pyridine-3-carbonitrile is N#Cc1ccc(C(F)F)[nH]c1=O.
What is the InChIKey of 6-(difluoromethyl)-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is LUIUNAAWYCOORB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F2N2O/c8-6(9)5-2-1-4(3-10)7(12)11-5/h1-2,6H,(H,11,12).
What are the key properties of 6-(difluoromethyl)-2-oxo-1H-pyridine-3-carbonitrile?
6-(difluoromethyl)-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 170.12 g/mol, XLogP of 1.18, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethyl)-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 130095836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).