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

C8H3F5N2O2 — CID 118828209

IUPAC2-(difluoromethyl)-6-oxo-3-(trifluoromethoxy)-1H-pyridine-4-carbonitrile
SMILESN#Cc1cc(=O)[nH]c(C(F)F)c1OC(F)(F)F
InChIInChI=1S/C8H3F5N2O2/c9-7(10)5-6(17-8(11,12)13)3(2-14)1-4(16)15-5/h1,7H,(H,15,16)
InChIKeyQVKCSROESDPTEQ-UHFFFAOYSA-N
MW254.11 g/mol
LogP2.08
Rot. Bonds2

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

2-(difluoromethyl)-6-oxo-3-(trifluoromethoxy)-1H-pyridine-4-carbonitrile (PubChem CID 118828209) has the molecular formula C8H3F5N2O2 and a molecular weight of 254.11 g/mol. Its IUPAC name is 2-(difluoromethyl)-6-oxo-3-(trifluoromethoxy)-1H-pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-(difluoromethyl)-6-oxo-3-(trifluoromethoxy)-1H-pyridine-4-carbonitrile
PubChem CID118828209
Molecular FormulaC8H3F5N2O2
Molecular Weight254.11 g/mol
Exact Mass254.01
IUPAC Name2-(difluoromethyl)-6-oxo-3-(trifluoromethoxy)-1H-pyridine-4-carbonitrile
SMILESN#Cc1cc(=O)[nH]c(C(F)F)c1OC(F)(F)F
InChIInChI=1S/C8H3F5N2O2/c9-7(10)5-6(17-8(11,12)13)3(2-14)1-4(16)15-5/h1,7H,(H,15,16)
InChIKeyQVKCSROESDPTEQ-UHFFFAOYSA-N
XLogP2.08
TPSA65.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.11
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2-(difluoromethyl)-6-oxo-1H-pyridine-4-carbonitrile
CID 130103220
4-cyano-2-(difluoromethyl)-6-oxo-1H-pyridine-3-carboxylic acid
CID 118811331
6-amino-2-oxo-3-(trifluoromethoxy)-1H-pyridine-4-carbonitrile
CID 131282215
2-(difluoromethyl)-6-iodo-3-(trifluoromethoxy)-1H-pyridin-4-one
CID 130111333
2-(difluoromethyl)-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile
CID 130076708
6-(difluoromethyl)-4-(trifluoromethoxy)-5-(trifluoromethyl)-1H-pyridin-2-one
CID 134679073
2-(difluoromethyl)-3-(trifluoromethoxy)-6-(trifluoromethyl)-1H-pyridin-4-one
CID 134660918
6-(difluoromethyl)-5-nitro-4-(trifluoromethoxy)-1H-pyridin-2-one
CID 118837677
2-amino-3-(difluoromethyl)-6-oxo-1H-pyridine-4-carbonitrile
CID 119016026
6-oxo-3-(trifluoromethoxy)-4-(trifluoromethyl)-1H-pyridine-2-carbonitrile
CID 133087830
3-(difluoromethyl)-2-hydroxy-6-oxo-1H-pyridine-4-carbonitrile
CID 130100027
2-chloro-3-(difluoromethyl)-6-oxo-1H-pyridine-4-carbonitrile
CID 119010938

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-6-oxo-3-(trifluoromethoxy)-1H-pyridine-4-carbonitrile?
The IUPAC name of 2-(difluoromethyl)-6-oxo-3-(trifluoromethoxy)-1H-pyridine-4-carbonitrile (CID 118828209) is 2-(difluoromethyl)-6-oxo-3-(trifluoromethoxy)-1H-pyridine-4-carbonitrile.
What is the SMILES notation for 2-(difluoromethyl)-6-oxo-3-(trifluoromethoxy)-1H-pyridine-4-carbonitrile?
The canonical SMILES for 2-(difluoromethyl)-6-oxo-3-(trifluoromethoxy)-1H-pyridine-4-carbonitrile is N#Cc1cc(=O)[nH]c(C(F)F)c1OC(F)(F)F.
What is the InChIKey of 2-(difluoromethyl)-6-oxo-3-(trifluoromethoxy)-1H-pyridine-4-carbonitrile?
The InChIKey is QVKCSROESDPTEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3F5N2O2/c9-7(10)5-6(17-8(11,12)13)3(2-14)1-4(16)15-5/h1,7H,(H,15,16).
What are the key properties of 2-(difluoromethyl)-6-oxo-3-(trifluoromethoxy)-1H-pyridine-4-carbonitrile?
2-(difluoromethyl)-6-oxo-3-(trifluoromethoxy)-1H-pyridine-4-carbonitrile has a molecular weight of 254.11 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-6-oxo-3-(trifluoromethoxy)-1H-pyridine-4-carbonitrile is sourced from PubChem (CID 118828209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).