(E)-2-pyridin-2-yl-3-[3-(trifluoromethyl)phenyl]prop-2-enenitrile

C15H9F3N2 — CID 18532722

IUPAC(E)-2-pyridin-2-yl-3-[3-(trifluoromethyl)phenyl]prop-2-enenitrile
SMILESN#C/C(=C/c1cccc(C(F)(F)F)c1)c1ccccn1
InChIInChI=1S/C15H9F3N2/c16-15(17,18)13-5-3-4-11(9-13)8-12(10-19)14-6-1-2-7-20-14/h1-9H/b12-8-
InChIKeySLOLAFUTRZOKFN-WQLSENKSSA-N
MW274.25 g/mol
LogP4.16
Rot. Bonds2

About (E)-2-pyridin-2-yl-3-[3-(trifluoromethyl)phenyl]prop-2-enenitrile

(E)-2-pyridin-2-yl-3-[3-(trifluoromethyl)phenyl]prop-2-enenitrile (PubChem CID 18532722) has the molecular formula C15H9F3N2 and a molecular weight of 274.25 g/mol. Its IUPAC name is (E)-2-pyridin-2-yl-3-[3-(trifluoromethyl)phenyl]prop-2-enenitrile.

Molecular Properties

Compound Name(E)-2-pyridin-2-yl-3-[3-(trifluoromethyl)phenyl]prop-2-enenitrile
PubChem CID18532722
Molecular FormulaC15H9F3N2
Molecular Weight274.25 g/mol
Exact Mass274.07
IUPAC Name(E)-2-pyridin-2-yl-3-[3-(trifluoromethyl)phenyl]prop-2-enenitrile
SMILESN#C/C(=C/c1cccc(C(F)(F)F)c1)c1ccccn1
InChIInChI=1S/C15H9F3N2/c16-15(17,18)13-5-3-4-11(9-13)8-12(10-19)14-6-1-2-7-20-14/h1-9H/b12-8-
InChIKeySLOLAFUTRZOKFN-WQLSENKSSA-N
XLogP4.16
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.25
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

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Related Compounds

3-(3-methoxyphenyl)-2-pyridin-2-ylprop-2-enenitrile
CID 71903547
(E)-3-[3-(2-hydroxyethyl)phenyl]-2-pyridin-2-ylprop-2-enenitrile
CID 155123442
(Z)-3-naphthalen-2-yl-2-pyridin-2-ylprop-2-enenitrile
CID 6164885
2-[4-[(E)-2-cyano-2-pyridin-2-ylethenyl]-2-methoxyphenoxy]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 18532266
(E)-3-(3-propan-2-yloxyphenyl)-2-pyridin-2-ylprop-2-enenitrile
CID 47448589
(Z)-2-pyridin-2-yl-3-thiophen-3-ylprop-2-enenitrile
CID 7911576
(Z)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridin-2-ylprop-2-enenitrile
CID 6109259
3-(2,6-dichlorophenyl)-2-pyridin-2-ylprop-2-enenitrile
CID 3664547
(E)-3-[4-(difluoromethoxy)phenyl]-2-pyridin-2-ylprop-2-enenitrile
CID 74766491
(E)-3-hydroxy-2-pyridin-2-ylprop-2-enenitrile
CID 136664514
2-[3-(trifluoromethyl)phenyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enenitrile
CID 2795844
2-pyridin-2-yl-3-(2,4,6-trimethylphenyl)prop-2-enenitrile
CID 3473649

Frequently Asked Questions

What is the IUPAC name of (E)-2-pyridin-2-yl-3-[3-(trifluoromethyl)phenyl]prop-2-enenitrile?
The IUPAC name of (E)-2-pyridin-2-yl-3-[3-(trifluoromethyl)phenyl]prop-2-enenitrile (CID 18532722) is (E)-2-pyridin-2-yl-3-[3-(trifluoromethyl)phenyl]prop-2-enenitrile.
What is the SMILES notation for (E)-2-pyridin-2-yl-3-[3-(trifluoromethyl)phenyl]prop-2-enenitrile?
The canonical SMILES for (E)-2-pyridin-2-yl-3-[3-(trifluoromethyl)phenyl]prop-2-enenitrile is N#C/C(=C/c1cccc(C(F)(F)F)c1)c1ccccn1.
What is the InChIKey of (E)-2-pyridin-2-yl-3-[3-(trifluoromethyl)phenyl]prop-2-enenitrile?
The InChIKey is SLOLAFUTRZOKFN-WQLSENKSSA-N. The full InChI is InChI=1S/C15H9F3N2/c16-15(17,18)13-5-3-4-11(9-13)8-12(10-19)14-6-1-2-7-20-14/h1-9H/b12-8-.
What are the key properties of (E)-2-pyridin-2-yl-3-[3-(trifluoromethyl)phenyl]prop-2-enenitrile?
(E)-2-pyridin-2-yl-3-[3-(trifluoromethyl)phenyl]prop-2-enenitrile has a molecular weight of 274.25 g/mol, XLogP of 4.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-pyridin-2-yl-3-[3-(trifluoromethyl)phenyl]prop-2-enenitrile is sourced from PubChem (CID 18532722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).