3-(difluoromethyl)-5-methyl-6-oxo-1H-pyridine-2-carbonitrile

C8H6F2N2O — CID 130076475

IUPAC3-(difluoromethyl)-5-methyl-6-oxo-1H-pyridine-2-carbonitrile
SMILESCc1cc(C(F)F)c(C#N)[nH]c1=O
InChIInChI=1S/C8H6F2N2O/c1-4-2-5(7(9)10)6(3-11)12-8(4)13/h2,7H,1H3,(H,12,13)
InChIKeyZWSCZOIEGWBLSN-UHFFFAOYSA-N
MW184.14 g/mol
LogP1.49
Rot. Bonds1

About 3-(difluoromethyl)-5-methyl-6-oxo-1H-pyridine-2-carbonitrile

3-(difluoromethyl)-5-methyl-6-oxo-1H-pyridine-2-carbonitrile (PubChem CID 130076475) has the molecular formula C8H6F2N2O and a molecular weight of 184.14 g/mol. Its IUPAC name is 3-(difluoromethyl)-5-methyl-6-oxo-1H-pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-(difluoromethyl)-5-methyl-6-oxo-1H-pyridine-2-carbonitrile
PubChem CID130076475
Molecular FormulaC8H6F2N2O
Molecular Weight184.14 g/mol
Exact Mass184.04
IUPAC Name3-(difluoromethyl)-5-methyl-6-oxo-1H-pyridine-2-carbonitrile
SMILESCc1cc(C(F)F)c(C#N)[nH]c1=O
InChIInChI=1S/C8H6F2N2O/c1-4-2-5(7(9)10)6(3-11)12-8(4)13/h2,7H,1H3,(H,12,13)
InChIKeyZWSCZOIEGWBLSN-UHFFFAOYSA-N
XLogP1.49
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.14
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(difluoromethyl)-3-methyl-6-(trifluoromethyl)-1H-pyridin-2-one
CID 130083825
3-(difluoromethyl)-5-methyl-6-oxo-1H-pyridine-2-carboxylic acid
CID 130083953
3-(difluoromethyl)-6-fluoro-5-methyl-1H-pyridin-2-one
CID 130079332
2-[4-(difluoromethyl)-2-methyl-6-oxo-1H-pyridin-3-yl]acetonitrile
CID 118834226
6-(difluoromethyl)-3-methyl-4-oxo-1H-pyridine-2-carbonitrile
CID 130076488
ethyl 2-cyano-4-(difluoromethyl)-6-oxo-1H-pyridine-3-carboxylate
CID 134673857
5-(difluoromethyl)-2-(hydroxymethyl)-6-oxo-1H-pyridine-3-carbonitrile
CID 130076809
3-(difluoromethyl)-5-methyl-6-(trifluoromethyl)-1H-pyridin-2-one
CID 130083807
6-(difluoromethyl)-5-fluoro-3-methyl-1H-pyridin-2-one
CID 130079289
2-[5-(difluoromethyl)-4-methyl-2-oxo-1H-pyridin-3-yl]acetonitrile
CID 130083859
6-(bromomethyl)-5-(difluoromethyl)-2-oxo-1H-pyridine-3-carbonitrile
CID 118815822
5-(chloromethyl)-4-(difluoromethyl)-6-oxo-1H-pyridine-2-carbonitrile
CID 130076692

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-5-methyl-6-oxo-1H-pyridine-2-carbonitrile?
The IUPAC name of 3-(difluoromethyl)-5-methyl-6-oxo-1H-pyridine-2-carbonitrile (CID 130076475) is 3-(difluoromethyl)-5-methyl-6-oxo-1H-pyridine-2-carbonitrile.
What is the SMILES notation for 3-(difluoromethyl)-5-methyl-6-oxo-1H-pyridine-2-carbonitrile?
The canonical SMILES for 3-(difluoromethyl)-5-methyl-6-oxo-1H-pyridine-2-carbonitrile is Cc1cc(C(F)F)c(C#N)[nH]c1=O.
What is the InChIKey of 3-(difluoromethyl)-5-methyl-6-oxo-1H-pyridine-2-carbonitrile?
The InChIKey is ZWSCZOIEGWBLSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F2N2O/c1-4-2-5(7(9)10)6(3-11)12-8(4)13/h2,7H,1H3,(H,12,13).
What are the key properties of 3-(difluoromethyl)-5-methyl-6-oxo-1H-pyridine-2-carbonitrile?
3-(difluoromethyl)-5-methyl-6-oxo-1H-pyridine-2-carbonitrile has a molecular weight of 184.14 g/mol, XLogP of 1.49, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-5-methyl-6-oxo-1H-pyridine-2-carbonitrile is sourced from PubChem (CID 130076475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).