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

C8H5F3N2O — CID 674145

IUPAC4-methyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonitrile
SMILESCc1cc(C(F)(F)F)[nH]c(=O)c1C#N
InChIInChI=1S/C8H5F3N2O/c1-4-2-6(8(9,10)11)13-7(14)5(4)3-12/h2H,1H3,(H,13,14)
InChIKeyKJPCSAVVWNUZOG-UHFFFAOYSA-N
MW202.13 g/mol
LogP1.57
Rot. Bonds

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

4-methyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonitrile (PubChem CID 674145) has the molecular formula C8H5F3N2O and a molecular weight of 202.13 g/mol. Its IUPAC name is 4-methyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-methyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonitrile
PubChem CID674145
Molecular FormulaC8H5F3N2O
Molecular Weight202.13 g/mol
Exact Mass202.04
IUPAC Name4-methyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonitrile
SMILESCc1cc(C(F)(F)F)[nH]c(=O)c1C#N
InChIInChI=1S/C8H5F3N2O/c1-4-2-6(8(9,10)11)13-7(14)5(4)3-12/h2H,1H3,(H,13,14)
InChIKeyKJPCSAVVWNUZOG-UHFFFAOYSA-N
XLogP1.57
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.13
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonitrile?
The IUPAC name of 4-methyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonitrile (CID 674145) is 4-methyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 4-methyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonitrile?
The canonical SMILES for 4-methyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonitrile is Cc1cc(C(F)(F)F)[nH]c(=O)c1C#N.
What is the InChIKey of 4-methyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonitrile?
The InChIKey is KJPCSAVVWNUZOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F3N2O/c1-4-2-6(8(9,10)11)13-7(14)5(4)3-12/h2H,1H3,(H,13,14).
What are the key properties of 4-methyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonitrile?
4-methyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonitrile has a molecular weight of 202.13 g/mol, XLogP of 1.57, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 674145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).