2-[4-(difluoromethyl)-5-methyl-6-oxo-1H-pyridin-3-yl]acetonitrile

C9H8F2N2O — CID 130083854

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

About 2-[4-(difluoromethyl)-5-methyl-6-oxo-1H-pyridin-3-yl]acetonitrile

2-[4-(difluoromethyl)-5-methyl-6-oxo-1H-pyridin-3-yl]acetonitrile (PubChem CID 130083854) has the molecular formula C9H8F2N2O and a molecular weight of 198.17 g/mol. Its IUPAC name is 2-[4-(difluoromethyl)-5-methyl-6-oxo-1H-pyridin-3-yl]acetonitrile.

Molecular Properties

Compound Name2-[4-(difluoromethyl)-5-methyl-6-oxo-1H-pyridin-3-yl]acetonitrile
PubChem CID130083854
Molecular FormulaC9H8F2N2O
Molecular Weight198.17 g/mol
Exact Mass198.06
IUPAC Name2-[4-(difluoromethyl)-5-methyl-6-oxo-1H-pyridin-3-yl]acetonitrile
SMILESCc1c(C(F)F)c(CC#N)c[nH]c1=O
InChIInChI=1S/C9H8F2N2O/c1-5-7(8(10)11)6(2-3-12)4-13-9(5)14/h4,8H,2H2,1H3,(H,13,14)
InChIKeyHZPLYAAFUXMXDT-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

5-(cyanomethyl)-3-(difluoromethyl)-2-oxo-1H-pyridine-4-carbonitrile
CID 118822034
4-(difluoromethyl)-3,5-dimethyl-1H-pyridin-2-one
CID 130101153
2-[5-(difluoromethyl)-4-methyl-2-oxo-1H-pyridin-3-yl]acetonitrile
CID 130083859
2-[3-(difluoromethyl)-2-oxo-1H-pyridin-4-yl]acetonitrile
CID 130097132
2-[4-(difluoromethyl)-5-hydroxy-2-oxo-1H-pyridin-3-yl]acetonitrile
CID 118852469
2-[5-(bromomethyl)-3-(difluoromethyl)-4-oxo-1H-pyridin-2-yl]acetonitrile
CID 130084750
2-[6-(difluoromethyl)-5-iodo-4-oxo-1H-pyridin-3-yl]acetonitrile
CID 118842993
2-[3-(difluoromethyl)-6-methoxy-2-oxo-1H-pyridin-4-yl]acetonitrile
CID 130083383
2-[5-(difluoromethyl)-3-methyl-4-oxo-1H-pyridin-2-yl]acetonitrile
CID 130083845
2-[6-amino-4-(difluoromethyl)-5-methyl-3-pyridinyl]acetonitrile
CID 119001800
4-(difluoromethyl)-3-methyl-5-nitro-1H-pyridin-2-one
CID 118812631
3-(difluoromethyl)-5-hydroxy-4-methyl-1H-pyridin-2-one
CID 130100101

Frequently Asked Questions

What is the IUPAC name of 2-[4-(difluoromethyl)-5-methyl-6-oxo-1H-pyridin-3-yl]acetonitrile?
The IUPAC name of 2-[4-(difluoromethyl)-5-methyl-6-oxo-1H-pyridin-3-yl]acetonitrile (CID 130083854) is 2-[4-(difluoromethyl)-5-methyl-6-oxo-1H-pyridin-3-yl]acetonitrile.
What is the SMILES notation for 2-[4-(difluoromethyl)-5-methyl-6-oxo-1H-pyridin-3-yl]acetonitrile?
The canonical SMILES for 2-[4-(difluoromethyl)-5-methyl-6-oxo-1H-pyridin-3-yl]acetonitrile is Cc1c(C(F)F)c(CC#N)c[nH]c1=O.
What is the InChIKey of 2-[4-(difluoromethyl)-5-methyl-6-oxo-1H-pyridin-3-yl]acetonitrile?
The InChIKey is HZPLYAAFUXMXDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2N2O/c1-5-7(8(10)11)6(2-3-12)4-13-9(5)14/h4,8H,2H2,1H3,(H,13,14).
What are the key properties of 2-[4-(difluoromethyl)-5-methyl-6-oxo-1H-pyridin-3-yl]acetonitrile?
2-[4-(difluoromethyl)-5-methyl-6-oxo-1H-pyridin-3-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-[4-(difluoromethyl)-5-methyl-6-oxo-1H-pyridin-3-yl]acetonitrile is sourced from PubChem (CID 130083854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).