3-(4-chlorophenoxy)-5-(trifluoromethyl)pyridine-2-carbonitrile

C13H6ClF3N2O — CID 2740536

IUPAC3-(4-chlorophenoxy)-5-(trifluoromethyl)pyridine-2-carbonitrile
SMILESN#Cc1ncc(C(F)(F)F)cc1Oc1ccc(Cl)cc1
InChIInChI=1S/C13H6ClF3N2O/c14-9-1-3-10(4-2-9)20-12-5-8(13(15,16)17)7-19-11(12)6-18/h1-5,7H
InChIKeyQREUNCYNYMZBQJ-UHFFFAOYSA-N
MW298.65 g/mol
LogP4.42
Rot. Bonds2

About 3-(4-chlorophenoxy)-5-(trifluoromethyl)pyridine-2-carbonitrile

3-(4-chlorophenoxy)-5-(trifluoromethyl)pyridine-2-carbonitrile (PubChem CID 2740536) has the molecular formula C13H6ClF3N2O and a molecular weight of 298.65 g/mol. Its IUPAC name is 3-(4-chlorophenoxy)-5-(trifluoromethyl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-(4-chlorophenoxy)-5-(trifluoromethyl)pyridine-2-carbonitrile
PubChem CID2740536
Molecular FormulaC13H6ClF3N2O
Molecular Weight298.65 g/mol
Exact Mass298.01
IUPAC Name3-(4-chlorophenoxy)-5-(trifluoromethyl)pyridine-2-carbonitrile
SMILESN#Cc1ncc(C(F)(F)F)cc1Oc1ccc(Cl)cc1
InChIInChI=1S/C13H6ClF3N2O/c14-9-1-3-10(4-2-9)20-12-5-8(13(15,16)17)7-19-11(12)6-18/h1-5,7H
InChIKeyQREUNCYNYMZBQJ-UHFFFAOYSA-N
XLogP4.42
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.65
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenoxy)-5-(trifluoromethyl)pyridine-2-carbonitrile?
The IUPAC name of 3-(4-chlorophenoxy)-5-(trifluoromethyl)pyridine-2-carbonitrile (CID 2740536) is 3-(4-chlorophenoxy)-5-(trifluoromethyl)pyridine-2-carbonitrile.
What is the SMILES notation for 3-(4-chlorophenoxy)-5-(trifluoromethyl)pyridine-2-carbonitrile?
The canonical SMILES for 3-(4-chlorophenoxy)-5-(trifluoromethyl)pyridine-2-carbonitrile is N#Cc1ncc(C(F)(F)F)cc1Oc1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenoxy)-5-(trifluoromethyl)pyridine-2-carbonitrile?
The InChIKey is QREUNCYNYMZBQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6ClF3N2O/c14-9-1-3-10(4-2-9)20-12-5-8(13(15,16)17)7-19-11(12)6-18/h1-5,7H.
What are the key properties of 3-(4-chlorophenoxy)-5-(trifluoromethyl)pyridine-2-carbonitrile?
3-(4-chlorophenoxy)-5-(trifluoromethyl)pyridine-2-carbonitrile has a molecular weight of 298.65 g/mol, XLogP of 4.42, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenoxy)-5-(trifluoromethyl)pyridine-2-carbonitrile is sourced from PubChem (CID 2740536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).