3-[3-(trifluoromethyl)phenoxy]pyridine-4-carbonitrile

C13H7F3N2O — CID 114287868

IUPAC3-[3-(trifluoromethyl)phenoxy]pyridine-4-carbonitrile
SMILESN#Cc1ccncc1Oc1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H7F3N2O/c14-13(15,16)10-2-1-3-11(6-10)19-12-8-18-5-4-9(12)7-17/h1-6,8H
InChIKeyJMMINRYBSKNJGO-UHFFFAOYSA-N
MW264.21 g/mol
LogP3.76
Rot. Bonds2

About 3-[3-(trifluoromethyl)phenoxy]pyridine-4-carbonitrile

3-[3-(trifluoromethyl)phenoxy]pyridine-4-carbonitrile (PubChem CID 114287868) has the molecular formula C13H7F3N2O and a molecular weight of 264.21 g/mol. Its IUPAC name is 3-[3-(trifluoromethyl)phenoxy]pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-[3-(trifluoromethyl)phenoxy]pyridine-4-carbonitrile
PubChem CID114287868
Molecular FormulaC13H7F3N2O
Molecular Weight264.21 g/mol
Exact Mass264.05
IUPAC Name3-[3-(trifluoromethyl)phenoxy]pyridine-4-carbonitrile
SMILESN#Cc1ccncc1Oc1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H7F3N2O/c14-13(15,16)10-2-1-3-11(6-10)19-12-8-18-5-4-9(12)7-17/h1-6,8H
InChIKeyJMMINRYBSKNJGO-UHFFFAOYSA-N
XLogP3.76
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.21
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(trifluoromethyl)phenoxy]pyridazine-4-carbonitrile
CID 80510221
5-ethynyl-2-[3-(trifluoromethyl)phenoxy]benzonitrile
CID 86697024
5-(2-iodoethyl)-2-[3-(trifluoromethyl)phenoxy]benzonitrile
CID 67776593
3-(3-chloro-4-fluorophenoxy)pyridine-4-carbonitrile
CID 114287961
[4-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methanol
CID 81237603
1-methyl-4-[3-(trifluoromethyl)phenoxy]pyrazole-5-carbonitrile
CID 171832453
7-oxabicyclo[2.2.1]hepta-1,3,5-triene;3-[3-(trifluoromethyl)phenoxy]benzene-1,2-dicarbonitrile
CID 19895084
8-nitro-5-[3-(trifluoromethyl)phenoxy]isoquinoline
CID 4795340
3-[4-(cyanomethyl)phenoxy]pyridine-4-carbonitrile
CID 114287836
2-chloro-6-[3-(trifluoromethyl)phenoxy]pyridine-4-carbonitrile
CID 83072753
5-[(2-chloro-5-methylpyrimidin-4-yl)oxymethyl]-2-[3-(trifluoromethyl)phenoxy]benzonitrile
CID 88532328
2-(2-acetylphenoxy)-4-(imidazol-1-ylmethyl)benzonitrile;4-(imidazol-1-ylmethyl)-2-[3-(trifluoromethyl)phenoxy]benzonitrile
CID 160758157

Frequently Asked Questions

What is the IUPAC name of 3-[3-(trifluoromethyl)phenoxy]pyridine-4-carbonitrile?
The IUPAC name of 3-[3-(trifluoromethyl)phenoxy]pyridine-4-carbonitrile (CID 114287868) is 3-[3-(trifluoromethyl)phenoxy]pyridine-4-carbonitrile.
What is the SMILES notation for 3-[3-(trifluoromethyl)phenoxy]pyridine-4-carbonitrile?
The canonical SMILES for 3-[3-(trifluoromethyl)phenoxy]pyridine-4-carbonitrile is N#Cc1ccncc1Oc1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-[3-(trifluoromethyl)phenoxy]pyridine-4-carbonitrile?
The InChIKey is JMMINRYBSKNJGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F3N2O/c14-13(15,16)10-2-1-3-11(6-10)19-12-8-18-5-4-9(12)7-17/h1-6,8H.
What are the key properties of 3-[3-(trifluoromethyl)phenoxy]pyridine-4-carbonitrile?
3-[3-(trifluoromethyl)phenoxy]pyridine-4-carbonitrile has a molecular weight of 264.21 g/mol, XLogP of 3.76, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(trifluoromethyl)phenoxy]pyridine-4-carbonitrile is sourced from PubChem (CID 114287868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).