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

C8H3F5N2O — CID 130076699

IUPAC5-(difluoromethyl)-6-oxo-4-(trifluoromethyl)-1H-pyridine-2-carbonitrile
SMILESN#Cc1cc(C(F)(F)F)c(C(F)F)c(=O)[nH]1
InChIInChI=1S/C8H3F5N2O/c9-6(10)5-4(8(11,12)13)1-3(2-14)15-7(5)16/h1,6H,(H,15,16)
InChIKeyVKUPBJBNCGKUJN-UHFFFAOYSA-N
MW238.11 g/mol
LogP2.20
Rot. Bonds1

About 5-(difluoromethyl)-6-oxo-4-(trifluoromethyl)-1H-pyridine-2-carbonitrile

5-(difluoromethyl)-6-oxo-4-(trifluoromethyl)-1H-pyridine-2-carbonitrile (PubChem CID 130076699) has the molecular formula C8H3F5N2O and a molecular weight of 238.11 g/mol. Its IUPAC name is 5-(difluoromethyl)-6-oxo-4-(trifluoromethyl)-1H-pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-(difluoromethyl)-6-oxo-4-(trifluoromethyl)-1H-pyridine-2-carbonitrile
PubChem CID130076699
Molecular FormulaC8H3F5N2O
Molecular Weight238.11 g/mol
Exact Mass238.02
IUPAC Name5-(difluoromethyl)-6-oxo-4-(trifluoromethyl)-1H-pyridine-2-carbonitrile
SMILESN#Cc1cc(C(F)(F)F)c(C(F)F)c(=O)[nH]1
InChIInChI=1S/C8H3F5N2O/c9-6(10)5-4(8(11,12)13)1-3(2-14)15-7(5)16/h1,6H,(H,15,16)
InChIKeyVKUPBJBNCGKUJN-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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Related Compounds

5-(difluoromethyl)-4-methoxy-6-oxo-1H-pyridine-2-carbonitrile
CID 130076436
2-(difluoromethyl)-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile
CID 130076708
5-(chloromethyl)-4-(difluoromethyl)-6-oxo-1H-pyridine-2-carbonitrile
CID 130076692
6-cyano-4-(difluoromethyl)-2-oxo-1H-pyridine-3-sulfonyl chloride
CID 130077018
3-(difluoromethyl)-6-methyl-2-oxo-1H-pyridine-4-carbonitrile
CID 130076512
3-acetyl-4-(difluoromethyl)-5-(trifluoromethyl)benzonitrile
CID 171030902
6-(aminomethyl)-5-(difluoromethyl)-4-(trifluoromethyl)-1H-pyridin-2-one
CID 118853573
2-[5-(difluoromethyl)-4-hydroxy-6-oxo-1H-pyridin-2-yl]acetonitrile
CID 130100201
5-bromo-6-(difluoromethyl)-4-oxo-1H-pyridine-2-carbonitrile
CID 130108622
2-[3-(difluoromethyl)-6-fluoro-4-(trifluoromethyl)-2-pyridinyl]acetonitrile
CID 133104341
5-chloro-2-(difluoromethyl)-1,3-bis(trifluoromethyl)benzene
CID 119001959
3-(difluoromethyl)-6-methoxy-4-(trifluoromethyl)pyridine-2-carbonitrile
CID 118990236

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-6-oxo-4-(trifluoromethyl)-1H-pyridine-2-carbonitrile?
The IUPAC name of 5-(difluoromethyl)-6-oxo-4-(trifluoromethyl)-1H-pyridine-2-carbonitrile (CID 130076699) is 5-(difluoromethyl)-6-oxo-4-(trifluoromethyl)-1H-pyridine-2-carbonitrile.
What is the SMILES notation for 5-(difluoromethyl)-6-oxo-4-(trifluoromethyl)-1H-pyridine-2-carbonitrile?
The canonical SMILES for 5-(difluoromethyl)-6-oxo-4-(trifluoromethyl)-1H-pyridine-2-carbonitrile is N#Cc1cc(C(F)(F)F)c(C(F)F)c(=O)[nH]1.
What is the InChIKey of 5-(difluoromethyl)-6-oxo-4-(trifluoromethyl)-1H-pyridine-2-carbonitrile?
The InChIKey is VKUPBJBNCGKUJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3F5N2O/c9-6(10)5-4(8(11,12)13)1-3(2-14)15-7(5)16/h1,6H,(H,15,16).
What are the key properties of 5-(difluoromethyl)-6-oxo-4-(trifluoromethyl)-1H-pyridine-2-carbonitrile?
5-(difluoromethyl)-6-oxo-4-(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 5-(difluoromethyl)-6-oxo-4-(trifluoromethyl)-1H-pyridine-2-carbonitrile is sourced from PubChem (CID 130076699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).