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

C8H2F6N2O2 — CID 133087830

IUPAC6-oxo-3-(trifluoromethoxy)-4-(trifluoromethyl)-1H-pyridine-2-carbonitrile
SMILESN#Cc1[nH]c(=O)cc(C(F)(F)F)c1OC(F)(F)F
InChIInChI=1S/C8H2F6N2O2/c9-7(10,11)3-1-5(17)16-4(2-15)6(3)18-8(12,13)14/h1H,(H,16,17)
InChIKeyQMUHJDUFCWODCP-UHFFFAOYSA-N
MW272.10 g/mol
LogP2.16
Rot. Bonds1

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

6-oxo-3-(trifluoromethoxy)-4-(trifluoromethyl)-1H-pyridine-2-carbonitrile (PubChem CID 133087830) has the molecular formula C8H2F6N2O2 and a molecular weight of 272.10 g/mol. Its IUPAC name is 6-oxo-3-(trifluoromethoxy)-4-(trifluoromethyl)-1H-pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-oxo-3-(trifluoromethoxy)-4-(trifluoromethyl)-1H-pyridine-2-carbonitrile
PubChem CID133087830
Molecular FormulaC8H2F6N2O2
Molecular Weight272.10 g/mol
Exact Mass272.00
IUPAC Name6-oxo-3-(trifluoromethoxy)-4-(trifluoromethyl)-1H-pyridine-2-carbonitrile
SMILESN#Cc1[nH]c(=O)cc(C(F)(F)F)c1OC(F)(F)F
InChIInChI=1S/C8H2F6N2O2/c9-7(10,11)3-1-5(17)16-4(2-15)6(3)18-8(12,13)14/h1H,(H,16,17)
InChIKeyQMUHJDUFCWODCP-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

Analyze 6-oxo-3-(trifluoromethoxy)-4-(trifluoromethyl)-1H-pyridine-2-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[6-oxo-3-(trifluoromethoxy)-4-(trifluoromethyl)-1H-pyridin-2-yl]acetate
CID 134667295
2-(difluoromethyl)-6-oxo-3-(trifluoromethoxy)-1H-pyridine-4-carbonitrile
CID 118828209
6-methyl-3-(trifluoromethoxy)-4-(trifluoromethyl)-1H-pyridin-2-one
CID 134658717
2-[4-(bromomethyl)-6-oxo-3-(trifluoromethoxy)-1H-pyridin-2-yl]acetonitrile
CID 134678432
2-(difluoromethyl)-6-oxo-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile
CID 130076708
methyl 6-oxo-2-(trifluoromethoxy)-4-(trifluoromethyl)-1H-pyridine-3-carboxylate
CID 134666243
6-amino-2-oxo-3-(trifluoromethoxy)-1H-pyridine-4-carbonitrile
CID 131282215
4-(fluoromethyl)-6-oxo-3-(trifluoromethoxy)-1H-pyridine-2-carbaldehyde
CID 118811740
6-oxo-5-(trifluoromethoxy)-4-(trifluoromethyl)-1H-pyridine-2-carboxylic acid
CID 134659825
4,6-dibromo-5-(trifluoromethoxy)-1H-pyridin-2-one
CID 119010745
4,6-dichloro-5-(trifluoromethoxy)-1H-pyridin-2-one
CID 130093802
6-(fluoromethyl)-4-methyl-5-(trifluoromethoxy)-1H-pyridin-2-one
CID 130111993

Frequently Asked Questions

What is the IUPAC name of 6-oxo-3-(trifluoromethoxy)-4-(trifluoromethyl)-1H-pyridine-2-carbonitrile?
The IUPAC name of 6-oxo-3-(trifluoromethoxy)-4-(trifluoromethyl)-1H-pyridine-2-carbonitrile (CID 133087830) is 6-oxo-3-(trifluoromethoxy)-4-(trifluoromethyl)-1H-pyridine-2-carbonitrile.
What is the SMILES notation for 6-oxo-3-(trifluoromethoxy)-4-(trifluoromethyl)-1H-pyridine-2-carbonitrile?
The canonical SMILES for 6-oxo-3-(trifluoromethoxy)-4-(trifluoromethyl)-1H-pyridine-2-carbonitrile is N#Cc1[nH]c(=O)cc(C(F)(F)F)c1OC(F)(F)F.
What is the InChIKey of 6-oxo-3-(trifluoromethoxy)-4-(trifluoromethyl)-1H-pyridine-2-carbonitrile?
The InChIKey is QMUHJDUFCWODCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H2F6N2O2/c9-7(10,11)3-1-5(17)16-4(2-15)6(3)18-8(12,13)14/h1H,(H,16,17).
What are the key properties of 6-oxo-3-(trifluoromethoxy)-4-(trifluoromethyl)-1H-pyridine-2-carbonitrile?
6-oxo-3-(trifluoromethoxy)-4-(trifluoromethyl)-1H-pyridine-2-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 6-oxo-3-(trifluoromethoxy)-4-(trifluoromethyl)-1H-pyridine-2-carbonitrile is sourced from PubChem (CID 133087830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).