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

C8H3F5N2O2 — CID 118833220

IUPAC5-(difluoromethyl)-2-oxo-3-(trifluoromethoxy)-1H-pyridine-4-carbonitrile
SMILESN#Cc1c(C(F)F)c[nH]c(=O)c1OC(F)(F)F
InChIInChI=1S/C8H3F5N2O2/c9-6(10)4-2-15-7(16)5(3(4)1-14)17-8(11,12)13/h2,6H,(H,15,16)
InChIKeyCGPMFUOUTHGNFH-UHFFFAOYSA-N
MW254.11 g/mol
LogP2.08
Rot. Bonds2

About 5-(difluoromethyl)-2-oxo-3-(trifluoromethoxy)-1H-pyridine-4-carbonitrile

5-(difluoromethyl)-2-oxo-3-(trifluoromethoxy)-1H-pyridine-4-carbonitrile (PubChem CID 118833220) has the molecular formula C8H3F5N2O2 and a molecular weight of 254.11 g/mol. Its IUPAC name is 5-(difluoromethyl)-2-oxo-3-(trifluoromethoxy)-1H-pyridine-4-carbonitrile.

Molecular Properties

Compound Name5-(difluoromethyl)-2-oxo-3-(trifluoromethoxy)-1H-pyridine-4-carbonitrile
PubChem CID118833220
Molecular FormulaC8H3F5N2O2
Molecular Weight254.11 g/mol
Exact Mass254.01
IUPAC Name5-(difluoromethyl)-2-oxo-3-(trifluoromethoxy)-1H-pyridine-4-carbonitrile
SMILESN#Cc1c(C(F)F)c[nH]c(=O)c1OC(F)(F)F
InChIInChI=1S/C8H3F5N2O2/c9-6(10)4-2-15-7(16)5(3(4)1-14)17-8(11,12)13/h2,6H,(H,15,16)
InChIKeyCGPMFUOUTHGNFH-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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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-2-oxo-3-(trifluoromethoxy)-1H-pyridine-4-carbonitrile?
The IUPAC name of 5-(difluoromethyl)-2-oxo-3-(trifluoromethoxy)-1H-pyridine-4-carbonitrile (CID 118833220) is 5-(difluoromethyl)-2-oxo-3-(trifluoromethoxy)-1H-pyridine-4-carbonitrile.
What is the SMILES notation for 5-(difluoromethyl)-2-oxo-3-(trifluoromethoxy)-1H-pyridine-4-carbonitrile?
The canonical SMILES for 5-(difluoromethyl)-2-oxo-3-(trifluoromethoxy)-1H-pyridine-4-carbonitrile is N#Cc1c(C(F)F)c[nH]c(=O)c1OC(F)(F)F.
What is the InChIKey of 5-(difluoromethyl)-2-oxo-3-(trifluoromethoxy)-1H-pyridine-4-carbonitrile?
The InChIKey is CGPMFUOUTHGNFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3F5N2O2/c9-6(10)4-2-15-7(16)5(3(4)1-14)17-8(11,12)13/h2,6H,(H,15,16).
What are the key properties of 5-(difluoromethyl)-2-oxo-3-(trifluoromethoxy)-1H-pyridine-4-carbonitrile?
5-(difluoromethyl)-2-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 5-(difluoromethyl)-2-oxo-3-(trifluoromethoxy)-1H-pyridine-4-carbonitrile is sourced from PubChem (CID 118833220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).