2-[5-(difluoromethyl)-3-methyl-4-oxo-1H-pyridin-2-yl]acetonitrile

C9H8F2N2O — CID 130083845

IUPAC2-[5-(difluoromethyl)-3-methyl-4-oxo-1H-pyridin-2-yl]acetonitrile
SMILESCc1c(CC#N)[nH]cc(C(F)F)c1=O
InChIInChI=1S/C9H8F2N2O/c1-5-7(2-3-12)13-4-6(8(5)14)9(10)11/h4,9H,2H2,1H3,(H,13,14)
InChIKeyVNOJIMVQLYHBHK-UHFFFAOYSA-N
MW198.17 g/mol
LogP1.69
Rot. Bonds2

About 2-[5-(difluoromethyl)-3-methyl-4-oxo-1H-pyridin-2-yl]acetonitrile

2-[5-(difluoromethyl)-3-methyl-4-oxo-1H-pyridin-2-yl]acetonitrile (PubChem CID 130083845) has the molecular formula C9H8F2N2O and a molecular weight of 198.17 g/mol. Its IUPAC name is 2-[5-(difluoromethyl)-3-methyl-4-oxo-1H-pyridin-2-yl]acetonitrile.

Molecular Properties

Compound Name2-[5-(difluoromethyl)-3-methyl-4-oxo-1H-pyridin-2-yl]acetonitrile
PubChem CID130083845
Molecular FormulaC9H8F2N2O
Molecular Weight198.17 g/mol
Exact Mass198.06
IUPAC Name2-[5-(difluoromethyl)-3-methyl-4-oxo-1H-pyridin-2-yl]acetonitrile
SMILESCc1c(CC#N)[nH]cc(C(F)F)c1=O
InChIInChI=1S/C9H8F2N2O/c1-5-7(2-3-12)13-4-6(8(5)14)9(10)11/h4,9H,2H2,1H3,(H,13,14)
InChIKeyVNOJIMVQLYHBHK-UHFFFAOYSA-N
XLogP1.69
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.17
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyanomethyl)-5-(difluoromethyl)-4-oxo-1H-pyridine-3-carbonitrile
CID 130076765
2-[5-(difluoromethyl)-4-oxo-3-(trifluoromethyl)-1H-pyridin-2-yl]acetonitrile
CID 133102528
2-[5-(difluoromethyl)-4-methyl-2-oxo-1H-pyridin-3-yl]acetonitrile
CID 130083859
2-[5-(difluoromethyl)-2-fluoro-4-oxo-1H-pyridin-3-yl]acetonitrile
CID 130079563
2-(chloromethyl)-5-(difluoromethyl)-4-oxo-1H-pyridine-3-carbonitrile
CID 118809846
2-(aminomethyl)-5-(difluoromethyl)-3-fluoro-1H-pyridin-4-one
CID 118853919
2-[5-(bromomethyl)-3-(difluoromethyl)-4-oxo-1H-pyridin-2-yl]acetonitrile
CID 130084750
ethyl 2-[3-cyano-5-(difluoromethyl)-4-oxo-1H-pyridin-2-yl]acetate
CID 134684068
2-[4-(difluoromethyl)-5-methyl-6-oxo-1H-pyridin-3-yl]acetonitrile
CID 130083854
2-[5-(difluoromethyl)-4-nitro-2-oxo-1H-pyridin-3-yl]acetonitrile
CID 130084357
5-(difluoromethyl)-3-formyl-4-oxo-1H-pyridine-2-carbonitrile
CID 119023722
2-[5-(difluoromethyl)-2-oxo-3-(trifluoromethyl)-1H-pyridin-4-yl]acetonitrile
CID 133102304

Frequently Asked Questions

What is the IUPAC name of 2-[5-(difluoromethyl)-3-methyl-4-oxo-1H-pyridin-2-yl]acetonitrile?
The IUPAC name of 2-[5-(difluoromethyl)-3-methyl-4-oxo-1H-pyridin-2-yl]acetonitrile (CID 130083845) is 2-[5-(difluoromethyl)-3-methyl-4-oxo-1H-pyridin-2-yl]acetonitrile.
What is the SMILES notation for 2-[5-(difluoromethyl)-3-methyl-4-oxo-1H-pyridin-2-yl]acetonitrile?
The canonical SMILES for 2-[5-(difluoromethyl)-3-methyl-4-oxo-1H-pyridin-2-yl]acetonitrile is Cc1c(CC#N)[nH]cc(C(F)F)c1=O.
What is the InChIKey of 2-[5-(difluoromethyl)-3-methyl-4-oxo-1H-pyridin-2-yl]acetonitrile?
The InChIKey is VNOJIMVQLYHBHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2N2O/c1-5-7(2-3-12)13-4-6(8(5)14)9(10)11/h4,9H,2H2,1H3,(H,13,14).
What are the key properties of 2-[5-(difluoromethyl)-3-methyl-4-oxo-1H-pyridin-2-yl]acetonitrile?
2-[5-(difluoromethyl)-3-methyl-4-oxo-1H-pyridin-2-yl]acetonitrile has a molecular weight of 198.17 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(difluoromethyl)-3-methyl-4-oxo-1H-pyridin-2-yl]acetonitrile is sourced from PubChem (CID 130083845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).