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

C8H2F6N2O2 — CID 118849895

IUPAC2-oxo-3-(trifluoromethoxy)-5-(trifluoromethyl)-1H-pyridine-4-carbonitrile
SMILESN#Cc1c(C(F)(F)F)c[nH]c(=O)c1OC(F)(F)F
InChIInChI=1S/C8H2F6N2O2/c9-7(10,11)4-2-16-6(17)5(3(4)1-15)18-8(12,13)14/h2H,(H,16,17)
InChIKeyPZCHAVPCILXMBR-UHFFFAOYSA-N
MW272.10 g/mol
LogP2.16
Rot. Bonds1

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

2-oxo-3-(trifluoromethoxy)-5-(trifluoromethyl)-1H-pyridine-4-carbonitrile (PubChem CID 118849895) has the molecular formula C8H2F6N2O2 and a molecular weight of 272.10 g/mol. Its IUPAC name is 2-oxo-3-(trifluoromethoxy)-5-(trifluoromethyl)-1H-pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-oxo-3-(trifluoromethoxy)-5-(trifluoromethyl)-1H-pyridine-4-carbonitrile
PubChem CID118849895
Molecular FormulaC8H2F6N2O2
Molecular Weight272.10 g/mol
Exact Mass272.00
IUPAC Name2-oxo-3-(trifluoromethoxy)-5-(trifluoromethyl)-1H-pyridine-4-carbonitrile
SMILESN#Cc1c(C(F)(F)F)c[nH]c(=O)c1OC(F)(F)F
InChIInChI=1S/C8H2F6N2O2/c9-7(10,11)4-2-16-6(17)5(3(4)1-15)18-8(12,13)14/h2H,(H,16,17)
InChIKeyPZCHAVPCILXMBR-UHFFFAOYSA-N
XLogP2.16
TPSA65.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.10
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-3-(trifluoromethoxy)-5-(trifluoromethyl)-1H-pyridine-4-carbonitrile?
The IUPAC name of 2-oxo-3-(trifluoromethoxy)-5-(trifluoromethyl)-1H-pyridine-4-carbonitrile (CID 118849895) is 2-oxo-3-(trifluoromethoxy)-5-(trifluoromethyl)-1H-pyridine-4-carbonitrile.
What is the SMILES notation for 2-oxo-3-(trifluoromethoxy)-5-(trifluoromethyl)-1H-pyridine-4-carbonitrile?
The canonical SMILES for 2-oxo-3-(trifluoromethoxy)-5-(trifluoromethyl)-1H-pyridine-4-carbonitrile is N#Cc1c(C(F)(F)F)c[nH]c(=O)c1OC(F)(F)F.
What is the InChIKey of 2-oxo-3-(trifluoromethoxy)-5-(trifluoromethyl)-1H-pyridine-4-carbonitrile?
The InChIKey is PZCHAVPCILXMBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H2F6N2O2/c9-7(10,11)4-2-16-6(17)5(3(4)1-15)18-8(12,13)14/h2H,(H,16,17).
What are the key properties of 2-oxo-3-(trifluoromethoxy)-5-(trifluoromethyl)-1H-pyridine-4-carbonitrile?
2-oxo-3-(trifluoromethoxy)-5-(trifluoromethyl)-1H-pyridine-4-carbonitrile has a molecular weight of 272.10 g/mol, XLogP of 2.16, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-3-(trifluoromethoxy)-5-(trifluoromethyl)-1H-pyridine-4-carbonitrile is sourced from PubChem (CID 118849895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).