6-(2,4,6-trifluorophenoxy)pyridine-3-carbonitrile

C12H5F3N2O — CID 174272255

IUPAC6-(2,4,6-trifluorophenoxy)pyridine-3-carbonitrile
SMILESN#Cc1ccc(Oc2c(F)cc(F)cc2F)nc1
InChIInChI=1S/C12H5F3N2O/c13-8-3-9(14)12(10(15)4-8)18-11-2-1-7(5-16)6-17-11/h1-4,6H
InChIKeySWEBYXCDGIZJSB-UHFFFAOYSA-N
MW250.18 g/mol
LogP3.16
Rot. Bonds2

About 6-(2,4,6-trifluorophenoxy)pyridine-3-carbonitrile

6-(2,4,6-trifluorophenoxy)pyridine-3-carbonitrile (PubChem CID 174272255) has the molecular formula C12H5F3N2O and a molecular weight of 250.18 g/mol. Its IUPAC name is 6-(2,4,6-trifluorophenoxy)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(2,4,6-trifluorophenoxy)pyridine-3-carbonitrile
PubChem CID174272255
Molecular FormulaC12H5F3N2O
Molecular Weight250.18 g/mol
Exact Mass250.04
IUPAC Name6-(2,4,6-trifluorophenoxy)pyridine-3-carbonitrile
SMILESN#Cc1ccc(Oc2c(F)cc(F)cc2F)nc1
InChIInChI=1S/C12H5F3N2O/c13-8-3-9(14)12(10(15)4-8)18-11-2-1-7(5-16)6-17-11/h1-4,6H
InChIKeySWEBYXCDGIZJSB-UHFFFAOYSA-N
XLogP3.16
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.18
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(2,4,6-trifluorophenoxy)pyridine-3-carbonitrile?
The IUPAC name of 6-(2,4,6-trifluorophenoxy)pyridine-3-carbonitrile (CID 174272255) is 6-(2,4,6-trifluorophenoxy)pyridine-3-carbonitrile.
What is the SMILES notation for 6-(2,4,6-trifluorophenoxy)pyridine-3-carbonitrile?
The canonical SMILES for 6-(2,4,6-trifluorophenoxy)pyridine-3-carbonitrile is N#Cc1ccc(Oc2c(F)cc(F)cc2F)nc1.
What is the InChIKey of 6-(2,4,6-trifluorophenoxy)pyridine-3-carbonitrile?
The InChIKey is SWEBYXCDGIZJSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5F3N2O/c13-8-3-9(14)12(10(15)4-8)18-11-2-1-7(5-16)6-17-11/h1-4,6H.
What are the key properties of 6-(2,4,6-trifluorophenoxy)pyridine-3-carbonitrile?
6-(2,4,6-trifluorophenoxy)pyridine-3-carbonitrile has a molecular weight of 250.18 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,4,6-trifluorophenoxy)pyridine-3-carbonitrile is sourced from PubChem (CID 174272255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).