2-(trifluoromethoxy)pyridine-3-carbonitrile

C7H3F3N2O — CID 69252552

IUPAC2-(trifluoromethoxy)pyridine-3-carbonitrile
SMILESN#Cc1cccnc1OC(F)(F)F
InChIInChI=1S/C7H3F3N2O/c8-7(9,10)13-6-5(4-11)2-1-3-12-6/h1-3H
InChIKeyLURYDPVDMBUMGF-UHFFFAOYSA-N
MW188.11 g/mol
LogP1.85
Rot. Bonds1

About 2-(trifluoromethoxy)pyridine-3-carbonitrile

2-(trifluoromethoxy)pyridine-3-carbonitrile (PubChem CID 69252552) has the molecular formula C7H3F3N2O and a molecular weight of 188.11 g/mol. Its IUPAC name is 2-(trifluoromethoxy)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(trifluoromethoxy)pyridine-3-carbonitrile
PubChem CID69252552
Molecular FormulaC7H3F3N2O
Molecular Weight188.11 g/mol
Exact Mass188.02
IUPAC Name2-(trifluoromethoxy)pyridine-3-carbonitrile
SMILESN#Cc1cccnc1OC(F)(F)F
InChIInChI=1S/C7H3F3N2O/c8-7(9,10)13-6-5(4-11)2-1-3-12-6/h1-3H
InChIKeyLURYDPVDMBUMGF-UHFFFAOYSA-N
XLogP1.85
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.11
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethoxy)pyridine-3-carbonitrile?
The IUPAC name of 2-(trifluoromethoxy)pyridine-3-carbonitrile (CID 69252552) is 2-(trifluoromethoxy)pyridine-3-carbonitrile.
What is the SMILES notation for 2-(trifluoromethoxy)pyridine-3-carbonitrile?
The canonical SMILES for 2-(trifluoromethoxy)pyridine-3-carbonitrile is N#Cc1cccnc1OC(F)(F)F.
What is the InChIKey of 2-(trifluoromethoxy)pyridine-3-carbonitrile?
The InChIKey is LURYDPVDMBUMGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F3N2O/c8-7(9,10)13-6-5(4-11)2-1-3-12-6/h1-3H.
What are the key properties of 2-(trifluoromethoxy)pyridine-3-carbonitrile?
2-(trifluoromethoxy)pyridine-3-carbonitrile has a molecular weight of 188.11 g/mol, XLogP of 1.85, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethoxy)pyridine-3-carbonitrile is sourced from PubChem (CID 69252552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).