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

C9H8F2N2O — CID 118803447

IUPAC2-[6-(difluoromethyl)-5-methyl-4-oxo-1H-pyridin-2-yl]acetonitrile
SMILESCc1c(C(F)F)[nH]c(CC#N)cc1=O
InChIInChI=1S/C9H8F2N2O/c1-5-7(14)4-6(2-3-12)13-8(5)9(10)11/h4,9H,2H2,1H3,(H,13,14)
InChIKeyLYMFISIYAVXPKU-UHFFFAOYSA-N
MW198.17 g/mol
LogP1.69
Rot. Bonds2

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

2-[6-(difluoromethyl)-5-methyl-4-oxo-1H-pyridin-2-yl]acetonitrile (PubChem CID 118803447) has the molecular formula C9H8F2N2O and a molecular weight of 198.17 g/mol. Its IUPAC name is 2-[6-(difluoromethyl)-5-methyl-4-oxo-1H-pyridin-2-yl]acetonitrile.

Molecular Properties

Compound Name2-[6-(difluoromethyl)-5-methyl-4-oxo-1H-pyridin-2-yl]acetonitrile
PubChem CID118803447
Molecular FormulaC9H8F2N2O
Molecular Weight198.17 g/mol
Exact Mass198.06
IUPAC Name2-[6-(difluoromethyl)-5-methyl-4-oxo-1H-pyridin-2-yl]acetonitrile
SMILESCc1c(C(F)F)[nH]c(CC#N)cc1=O
InChIInChI=1S/C9H8F2N2O/c1-5-7(14)4-6(2-3-12)13-8(5)9(10)11/h4,9H,2H2,1H3,(H,13,14)
InChIKeyLYMFISIYAVXPKU-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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Frequently Asked Questions

What is the IUPAC name of 2-[6-(difluoromethyl)-5-methyl-4-oxo-1H-pyridin-2-yl]acetonitrile?
The IUPAC name of 2-[6-(difluoromethyl)-5-methyl-4-oxo-1H-pyridin-2-yl]acetonitrile (CID 118803447) is 2-[6-(difluoromethyl)-5-methyl-4-oxo-1H-pyridin-2-yl]acetonitrile.
What is the SMILES notation for 2-[6-(difluoromethyl)-5-methyl-4-oxo-1H-pyridin-2-yl]acetonitrile?
The canonical SMILES for 2-[6-(difluoromethyl)-5-methyl-4-oxo-1H-pyridin-2-yl]acetonitrile is Cc1c(C(F)F)[nH]c(CC#N)cc1=O.
What is the InChIKey of 2-[6-(difluoromethyl)-5-methyl-4-oxo-1H-pyridin-2-yl]acetonitrile?
The InChIKey is LYMFISIYAVXPKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2N2O/c1-5-7(14)4-6(2-3-12)13-8(5)9(10)11/h4,9H,2H2,1H3,(H,13,14).
What are the key properties of 2-[6-(difluoromethyl)-5-methyl-4-oxo-1H-pyridin-2-yl]acetonitrile?
2-[6-(difluoromethyl)-5-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-[6-(difluoromethyl)-5-methyl-4-oxo-1H-pyridin-2-yl]acetonitrile is sourced from PubChem (CID 118803447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).