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

C8H3F5N2O — CID 119009525

IUPAC3-(difluoromethyl)-4-oxo-6-(trifluoromethyl)-1H-pyridine-2-carbonitrile
SMILESN#Cc1[nH]c(C(F)(F)F)cc(=O)c1C(F)F
InChIInChI=1S/C8H3F5N2O/c9-7(10)6-3(2-14)15-5(1-4(6)16)8(11,12)13/h1,7H,(H,15,16)
InChIKeyJJGMXMAJCLSGEI-UHFFFAOYSA-N
MW238.11 g/mol
LogP2.20
Rot. Bonds1

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

3-(difluoromethyl)-4-oxo-6-(trifluoromethyl)-1H-pyridine-2-carbonitrile (PubChem CID 119009525) has the molecular formula C8H3F5N2O and a molecular weight of 238.11 g/mol. Its IUPAC name is 3-(difluoromethyl)-4-oxo-6-(trifluoromethyl)-1H-pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-(difluoromethyl)-4-oxo-6-(trifluoromethyl)-1H-pyridine-2-carbonitrile
PubChem CID119009525
Molecular FormulaC8H3F5N2O
Molecular Weight238.11 g/mol
Exact Mass238.02
IUPAC Name3-(difluoromethyl)-4-oxo-6-(trifluoromethyl)-1H-pyridine-2-carbonitrile
SMILESN#Cc1[nH]c(C(F)(F)F)cc(=O)c1C(F)F
InChIInChI=1S/C8H3F5N2O/c9-7(10)6-3(2-14)15-5(1-4(6)16)8(11,12)13/h1,7H,(H,15,16)
InChIKeyJJGMXMAJCLSGEI-UHFFFAOYSA-N
XLogP2.20
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.11
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-4-oxo-6-(trifluoromethyl)-1H-pyridine-2-carbonitrile?
The IUPAC name of 3-(difluoromethyl)-4-oxo-6-(trifluoromethyl)-1H-pyridine-2-carbonitrile (CID 119009525) is 3-(difluoromethyl)-4-oxo-6-(trifluoromethyl)-1H-pyridine-2-carbonitrile.
What is the SMILES notation for 3-(difluoromethyl)-4-oxo-6-(trifluoromethyl)-1H-pyridine-2-carbonitrile?
The canonical SMILES for 3-(difluoromethyl)-4-oxo-6-(trifluoromethyl)-1H-pyridine-2-carbonitrile is N#Cc1[nH]c(C(F)(F)F)cc(=O)c1C(F)F.
What is the InChIKey of 3-(difluoromethyl)-4-oxo-6-(trifluoromethyl)-1H-pyridine-2-carbonitrile?
The InChIKey is JJGMXMAJCLSGEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3F5N2O/c9-7(10)6-3(2-14)15-5(1-4(6)16)8(11,12)13/h1,7H,(H,15,16).
What are the key properties of 3-(difluoromethyl)-4-oxo-6-(trifluoromethyl)-1H-pyridine-2-carbonitrile?
3-(difluoromethyl)-4-oxo-6-(trifluoromethyl)-1H-pyridine-2-carbonitrile has a molecular weight of 238.11 g/mol, XLogP of 2.20, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-4-oxo-6-(trifluoromethyl)-1H-pyridine-2-carbonitrile is sourced from PubChem (CID 119009525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).