6-(difluoromethyl)-3-methyl-4-oxo-1H-pyridine-2-carbonitrile

C8H6F2N2O — CID 130076488

IUPAC6-(difluoromethyl)-3-methyl-4-oxo-1H-pyridine-2-carbonitrile
SMILESCc1c(C#N)[nH]c(C(F)F)cc1=O
InChIInChI=1S/C8H6F2N2O/c1-4-6(3-11)12-5(8(9)10)2-7(4)13/h2,8H,1H3,(H,12,13)
InChIKeyDPUGUKYMAPFCFX-UHFFFAOYSA-N
MW184.15 g/mol
LogP1.49
Rot. Bonds1

About 6-(difluoromethyl)-3-methyl-4-oxo-1H-pyridine-2-carbonitrile

6-(difluoromethyl)-3-methyl-4-oxo-1H-pyridine-2-carbonitrile (PubChem CID 130076488) has the molecular formula C8H6F2N2O and a molecular weight of 184.15 g/mol. Its IUPAC name is 6-(difluoromethyl)-3-methyl-4-oxo-1H-pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-(difluoromethyl)-3-methyl-4-oxo-1H-pyridine-2-carbonitrile
PubChem CID130076488
Molecular FormulaC8H6F2N2O
Molecular Weight184.15 g/mol
Exact Mass184.04
IUPAC Name6-(difluoromethyl)-3-methyl-4-oxo-1H-pyridine-2-carbonitrile
SMILESCc1c(C#N)[nH]c(C(F)F)cc1=O
InChIInChI=1S/C8H6F2N2O/c1-4-6(3-11)12-5(8(9)10)2-7(4)13/h2,8H,1H3,(H,12,13)
InChIKeyDPUGUKYMAPFCFX-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 ≤ 500184.15
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-3-methyl-4-oxo-1H-pyridine-2-carbonitrile?
The IUPAC name of 6-(difluoromethyl)-3-methyl-4-oxo-1H-pyridine-2-carbonitrile (CID 130076488) is 6-(difluoromethyl)-3-methyl-4-oxo-1H-pyridine-2-carbonitrile.
What is the SMILES notation for 6-(difluoromethyl)-3-methyl-4-oxo-1H-pyridine-2-carbonitrile?
The canonical SMILES for 6-(difluoromethyl)-3-methyl-4-oxo-1H-pyridine-2-carbonitrile is Cc1c(C#N)[nH]c(C(F)F)cc1=O.
What is the InChIKey of 6-(difluoromethyl)-3-methyl-4-oxo-1H-pyridine-2-carbonitrile?
The InChIKey is DPUGUKYMAPFCFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F2N2O/c1-4-6(3-11)12-5(8(9)10)2-7(4)13/h2,8H,1H3,(H,12,13).
What are the key properties of 6-(difluoromethyl)-3-methyl-4-oxo-1H-pyridine-2-carbonitrile?
6-(difluoromethyl)-3-methyl-4-oxo-1H-pyridine-2-carbonitrile has a molecular weight of 184.15 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 6-(difluoromethyl)-3-methyl-4-oxo-1H-pyridine-2-carbonitrile is sourced from PubChem (CID 130076488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).