(Z)-2-(4-fluorophenyl)-4-pyridin-3-ylbut-2-enenitrile

C15H11FN2 — CID 142042711

IUPAC(Z)-2-(4-fluorophenyl)-4-pyridin-3-ylbut-2-enenitrile
SMILESN#C/C(=C\Cc1cccnc1)c1ccc(F)cc1
InChIInChI=1S/C15H11FN2/c16-15-7-5-13(6-8-15)14(10-17)4-3-12-2-1-9-18-11-12/h1-2,4-9,11H,3H2/b14-4+
InChIKeyKENIRKVGWDCSMS-LNKIKWGQSA-N
MW238.27 g/mol
LogP3.37
Rot. Bonds3

About (Z)-2-(4-fluorophenyl)-4-pyridin-3-ylbut-2-enenitrile

(Z)-2-(4-fluorophenyl)-4-pyridin-3-ylbut-2-enenitrile (PubChem CID 142042711) has the molecular formula C15H11FN2 and a molecular weight of 238.27 g/mol. Its IUPAC name is (Z)-2-(4-fluorophenyl)-4-pyridin-3-ylbut-2-enenitrile.

Molecular Properties

Compound Name(Z)-2-(4-fluorophenyl)-4-pyridin-3-ylbut-2-enenitrile
PubChem CID142042711
Molecular FormulaC15H11FN2
Molecular Weight238.27 g/mol
Exact Mass238.09
IUPAC Name(Z)-2-(4-fluorophenyl)-4-pyridin-3-ylbut-2-enenitrile
SMILESN#C/C(=C\Cc1cccnc1)c1ccc(F)cc1
InChIInChI=1S/C15H11FN2/c16-15-7-5-13(6-8-15)14(10-17)4-3-12-2-1-9-18-11-12/h1-2,4-9,11H,3H2/b14-4+
InChIKeyKENIRKVGWDCSMS-LNKIKWGQSA-N
XLogP3.37
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.27
LogP ≤ 53.37
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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Frequently Asked Questions

What is the IUPAC name of (Z)-2-(4-fluorophenyl)-4-pyridin-3-ylbut-2-enenitrile?
The IUPAC name of (Z)-2-(4-fluorophenyl)-4-pyridin-3-ylbut-2-enenitrile (CID 142042711) is (Z)-2-(4-fluorophenyl)-4-pyridin-3-ylbut-2-enenitrile.
What is the SMILES notation for (Z)-2-(4-fluorophenyl)-4-pyridin-3-ylbut-2-enenitrile?
The canonical SMILES for (Z)-2-(4-fluorophenyl)-4-pyridin-3-ylbut-2-enenitrile is N#C/C(=C\Cc1cccnc1)c1ccc(F)cc1.
What is the InChIKey of (Z)-2-(4-fluorophenyl)-4-pyridin-3-ylbut-2-enenitrile?
The InChIKey is KENIRKVGWDCSMS-LNKIKWGQSA-N. The full InChI is InChI=1S/C15H11FN2/c16-15-7-5-13(6-8-15)14(10-17)4-3-12-2-1-9-18-11-12/h1-2,4-9,11H,3H2/b14-4+.
What are the key properties of (Z)-2-(4-fluorophenyl)-4-pyridin-3-ylbut-2-enenitrile?
(Z)-2-(4-fluorophenyl)-4-pyridin-3-ylbut-2-enenitrile has a molecular weight of 238.27 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(4-fluorophenyl)-4-pyridin-3-ylbut-2-enenitrile is sourced from PubChem (CID 142042711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).