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

C8H6F2N2O — CID 118799361

IUPAC2-(difluoromethyl)-3-methyl-6-oxo-1H-pyridine-4-carbonitrile
SMILESCc1c(C#N)cc(=O)[nH]c1C(F)F
InChIInChI=1S/C8H6F2N2O/c1-4-5(3-11)2-6(13)12-7(4)8(9)10/h2,8H,1H3,(H,12,13)
InChIKeyYHAWZWSDBNJMSR-UHFFFAOYSA-N
MW184.15 g/mol
LogP1.49
Rot. Bonds1

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

2-(difluoromethyl)-3-methyl-6-oxo-1H-pyridine-4-carbonitrile (PubChem CID 118799361) has the molecular formula C8H6F2N2O and a molecular weight of 184.15 g/mol. Its IUPAC name is 2-(difluoromethyl)-3-methyl-6-oxo-1H-pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-(difluoromethyl)-3-methyl-6-oxo-1H-pyridine-4-carbonitrile
PubChem CID118799361
Molecular FormulaC8H6F2N2O
Molecular Weight184.15 g/mol
Exact Mass184.04
IUPAC Name2-(difluoromethyl)-3-methyl-6-oxo-1H-pyridine-4-carbonitrile
SMILESCc1c(C#N)cc(=O)[nH]c1C(F)F
InChIInChI=1S/C8H6F2N2O/c1-4-5(3-11)2-6(13)12-7(4)8(9)10/h2,8H,1H3,(H,12,13)
InChIKeyYHAWZWSDBNJMSR-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 2-(difluoromethyl)-3-methyl-6-oxo-1H-pyridine-4-carbonitrile?
The IUPAC name of 2-(difluoromethyl)-3-methyl-6-oxo-1H-pyridine-4-carbonitrile (CID 118799361) is 2-(difluoromethyl)-3-methyl-6-oxo-1H-pyridine-4-carbonitrile.
What is the SMILES notation for 2-(difluoromethyl)-3-methyl-6-oxo-1H-pyridine-4-carbonitrile?
The canonical SMILES for 2-(difluoromethyl)-3-methyl-6-oxo-1H-pyridine-4-carbonitrile is Cc1c(C#N)cc(=O)[nH]c1C(F)F.
What is the InChIKey of 2-(difluoromethyl)-3-methyl-6-oxo-1H-pyridine-4-carbonitrile?
The InChIKey is YHAWZWSDBNJMSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F2N2O/c1-4-5(3-11)2-6(13)12-7(4)8(9)10/h2,8H,1H3,(H,12,13).
What are the key properties of 2-(difluoromethyl)-3-methyl-6-oxo-1H-pyridine-4-carbonitrile?
2-(difluoromethyl)-3-methyl-6-oxo-1H-pyridine-4-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 2-(difluoromethyl)-3-methyl-6-oxo-1H-pyridine-4-carbonitrile is sourced from PubChem (CID 118799361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).