2-(4-fluorophenoxy)-5-[3-(trifluoromethyl)phenyl]pyridine-3-carbonitrile

C19H10F4N2O — CID 3396042

IUPAC2-(4-fluorophenoxy)-5-[3-(trifluoromethyl)phenyl]pyridine-3-carbonitrile
SMILESN#Cc1cc(-c2cccc(C(F)(F)F)c2)cnc1Oc1ccc(F)cc1
InChIInChI=1S/C19H10F4N2O/c20-16-4-6-17(7-5-16)26-18-13(10-24)8-14(11-25-18)12-2-1-3-15(9-12)19(21,22)23/h1-9,11H
InChIKeyYVRUHQXTXXZDCB-UHFFFAOYSA-N
MW358.29 g/mol
LogP5.57
Rot. Bonds3

About 2-(4-fluorophenoxy)-5-[3-(trifluoromethyl)phenyl]pyridine-3-carbonitrile

2-(4-fluorophenoxy)-5-[3-(trifluoromethyl)phenyl]pyridine-3-carbonitrile (PubChem CID 3396042) has the molecular formula C19H10F4N2O and a molecular weight of 358.29 g/mol. Its IUPAC name is 2-(4-fluorophenoxy)-5-[3-(trifluoromethyl)phenyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(4-fluorophenoxy)-5-[3-(trifluoromethyl)phenyl]pyridine-3-carbonitrile
PubChem CID3396042
Molecular FormulaC19H10F4N2O
Molecular Weight358.29 g/mol
Exact Mass358.07
IUPAC Name2-(4-fluorophenoxy)-5-[3-(trifluoromethyl)phenyl]pyridine-3-carbonitrile
SMILESN#Cc1cc(-c2cccc(C(F)(F)F)c2)cnc1Oc1ccc(F)cc1
InChIInChI=1S/C19H10F4N2O/c20-16-4-6-17(7-5-16)26-18-13(10-24)8-14(11-25-18)12-2-1-3-15(9-12)19(21,22)23/h1-9,11H
InChIKeyYVRUHQXTXXZDCB-UHFFFAOYSA-N
XLogP5.57
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.29
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenoxy)-5-[3-(trifluoromethyl)phenyl]pyridine-3-carbonitrile?
The IUPAC name of 2-(4-fluorophenoxy)-5-[3-(trifluoromethyl)phenyl]pyridine-3-carbonitrile (CID 3396042) is 2-(4-fluorophenoxy)-5-[3-(trifluoromethyl)phenyl]pyridine-3-carbonitrile.
What is the SMILES notation for 2-(4-fluorophenoxy)-5-[3-(trifluoromethyl)phenyl]pyridine-3-carbonitrile?
The canonical SMILES for 2-(4-fluorophenoxy)-5-[3-(trifluoromethyl)phenyl]pyridine-3-carbonitrile is N#Cc1cc(-c2cccc(C(F)(F)F)c2)cnc1Oc1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenoxy)-5-[3-(trifluoromethyl)phenyl]pyridine-3-carbonitrile?
The InChIKey is YVRUHQXTXXZDCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10F4N2O/c20-16-4-6-17(7-5-16)26-18-13(10-24)8-14(11-25-18)12-2-1-3-15(9-12)19(21,22)23/h1-9,11H.
What are the key properties of 2-(4-fluorophenoxy)-5-[3-(trifluoromethyl)phenyl]pyridine-3-carbonitrile?
2-(4-fluorophenoxy)-5-[3-(trifluoromethyl)phenyl]pyridine-3-carbonitrile has a molecular weight of 358.29 g/mol, XLogP of 5.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenoxy)-5-[3-(trifluoromethyl)phenyl]pyridine-3-carbonitrile is sourced from PubChem (CID 3396042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).