5-(fluoromethyl)-4-(trifluoromethoxy)pyridine-2-carbonitrile

C8H4F4N2O — CID 133094874

IUPAC5-(fluoromethyl)-4-(trifluoromethoxy)pyridine-2-carbonitrile
SMILESN#Cc1cc(OC(F)(F)F)c(CF)cn1
InChIInChI=1S/C8H4F4N2O/c9-2-5-4-14-6(3-13)1-7(5)15-8(10,11)12/h1,4H,2H2
InChIKeyCJMGLLLTMBLTDR-UHFFFAOYSA-N
MW220.12 g/mol
LogP2.32
Rot. Bonds2

About 5-(fluoromethyl)-4-(trifluoromethoxy)pyridine-2-carbonitrile

5-(fluoromethyl)-4-(trifluoromethoxy)pyridine-2-carbonitrile (PubChem CID 133094874) has the molecular formula C8H4F4N2O and a molecular weight of 220.12 g/mol. Its IUPAC name is 5-(fluoromethyl)-4-(trifluoromethoxy)pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-(fluoromethyl)-4-(trifluoromethoxy)pyridine-2-carbonitrile
PubChem CID133094874
Molecular FormulaC8H4F4N2O
Molecular Weight220.12 g/mol
Exact Mass220.03
IUPAC Name5-(fluoromethyl)-4-(trifluoromethoxy)pyridine-2-carbonitrile
SMILESN#Cc1cc(OC(F)(F)F)c(CF)cn1
InChIInChI=1S/C8H4F4N2O/c9-2-5-4-14-6(3-13)1-7(5)15-8(10,11)12/h1,4H,2H2
InChIKeyCJMGLLLTMBLTDR-UHFFFAOYSA-N
XLogP2.32
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.12
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(bromomethyl)-5-(trifluoromethoxy)pyridine-2-carbonitrile
CID 130091879
4-formyl-5-(trifluoromethoxy)pyridine-2-carbonitrile
CID 130091935
5-amino-4-(fluoromethyl)-6-(trifluoromethoxy)pyridine-2-carbonitrile
CID 131434041
3-(fluoromethyl)-5-(trifluoromethoxy)pyridine-4-carbonitrile
CID 118844852
2-(fluoromethyl)-5-(trifluoromethoxy)pyridine-4-carbonitrile
CID 133095709
4-(fluoromethyl)-5-(trifluoromethoxy)pyridin-2-amine
CID 119016507
2-amino-3-(fluoromethyl)-5-(trifluoromethoxy)pyridine-4-carbonitrile
CID 119004128
5-(cyanomethyl)-4-(trifluoromethyl)pyridine-2-carbonitrile
CID 166912974
5-(chloromethyl)-2-methyl-4-(trifluoromethoxy)pyridine
CID 130093298
6-amino-2-(fluoromethyl)-4-(trifluoromethoxy)pyridine-3-carbonitrile
CID 131392806
5-bromo-6-fluoro-4-(trifluoromethoxy)pyridine-2-carbonitrile
CID 131279482
2-[5-(fluoromethyl)-3-methyl-4-(trifluoromethoxy)-2-pyridinyl]acetonitrile
CID 133095951

Frequently Asked Questions

What is the IUPAC name of 5-(fluoromethyl)-4-(trifluoromethoxy)pyridine-2-carbonitrile?
The IUPAC name of 5-(fluoromethyl)-4-(trifluoromethoxy)pyridine-2-carbonitrile (CID 133094874) is 5-(fluoromethyl)-4-(trifluoromethoxy)pyridine-2-carbonitrile.
What is the SMILES notation for 5-(fluoromethyl)-4-(trifluoromethoxy)pyridine-2-carbonitrile?
The canonical SMILES for 5-(fluoromethyl)-4-(trifluoromethoxy)pyridine-2-carbonitrile is N#Cc1cc(OC(F)(F)F)c(CF)cn1.
What is the InChIKey of 5-(fluoromethyl)-4-(trifluoromethoxy)pyridine-2-carbonitrile?
The InChIKey is CJMGLLLTMBLTDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F4N2O/c9-2-5-4-14-6(3-13)1-7(5)15-8(10,11)12/h1,4H,2H2.
What are the key properties of 5-(fluoromethyl)-4-(trifluoromethoxy)pyridine-2-carbonitrile?
5-(fluoromethyl)-4-(trifluoromethoxy)pyridine-2-carbonitrile has a molecular weight of 220.12 g/mol, XLogP of 2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(fluoromethyl)-4-(trifluoromethoxy)pyridine-2-carbonitrile is sourced from PubChem (CID 133094874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).