(Z)-3-[5-(4-fluorophenyl)thiophen-2-yl]-2-pyridin-2-ylprop-2-enenitrile

C18H11FN2S — CID 24604426

IUPAC(Z)-3-[5-(4-fluorophenyl)thiophen-2-yl]-2-pyridin-2-ylprop-2-enenitrile
SMILESN#C/C(=C\c1ccc(-c2ccc(F)cc2)s1)c1ccccn1
InChIInChI=1S/C18H11FN2S/c19-15-6-4-13(5-7-15)18-9-8-16(22-18)11-14(12-20)17-3-1-2-10-21-17/h1-11H/b14-11+
InChIKeyAGJXHQOZIUXGRK-SDNWHVSQSA-N
MW306.37 g/mol
LogP5.01
Rot. Bonds3

About (Z)-3-[5-(4-fluorophenyl)thiophen-2-yl]-2-pyridin-2-ylprop-2-enenitrile

(Z)-3-[5-(4-fluorophenyl)thiophen-2-yl]-2-pyridin-2-ylprop-2-enenitrile (PubChem CID 24604426) has the molecular formula C18H11FN2S and a molecular weight of 306.37 g/mol. Its IUPAC name is (Z)-3-[5-(4-fluorophenyl)thiophen-2-yl]-2-pyridin-2-ylprop-2-enenitrile.

Molecular Properties

Compound Name(Z)-3-[5-(4-fluorophenyl)thiophen-2-yl]-2-pyridin-2-ylprop-2-enenitrile
PubChem CID24604426
Molecular FormulaC18H11FN2S
Molecular Weight306.37 g/mol
Exact Mass306.06
IUPAC Name(Z)-3-[5-(4-fluorophenyl)thiophen-2-yl]-2-pyridin-2-ylprop-2-enenitrile
SMILESN#C/C(=C\c1ccc(-c2ccc(F)cc2)s1)c1ccccn1
InChIInChI=1S/C18H11FN2S/c19-15-6-4-13(5-7-15)18-9-8-16(22-18)11-14(12-20)17-3-1-2-10-21-17/h1-11H/b14-11+
InChIKeyAGJXHQOZIUXGRK-SDNWHVSQSA-N
XLogP5.01
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.37
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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)-3-[5-(4-fluorophenyl)thiophen-2-yl]-2-pyridin-2-ylprop-2-enenitrile?
The IUPAC name of (Z)-3-[5-(4-fluorophenyl)thiophen-2-yl]-2-pyridin-2-ylprop-2-enenitrile (CID 24604426) is (Z)-3-[5-(4-fluorophenyl)thiophen-2-yl]-2-pyridin-2-ylprop-2-enenitrile.
What is the SMILES notation for (Z)-3-[5-(4-fluorophenyl)thiophen-2-yl]-2-pyridin-2-ylprop-2-enenitrile?
The canonical SMILES for (Z)-3-[5-(4-fluorophenyl)thiophen-2-yl]-2-pyridin-2-ylprop-2-enenitrile is N#C/C(=C\c1ccc(-c2ccc(F)cc2)s1)c1ccccn1.
What is the InChIKey of (Z)-3-[5-(4-fluorophenyl)thiophen-2-yl]-2-pyridin-2-ylprop-2-enenitrile?
The InChIKey is AGJXHQOZIUXGRK-SDNWHVSQSA-N. The full InChI is InChI=1S/C18H11FN2S/c19-15-6-4-13(5-7-15)18-9-8-16(22-18)11-14(12-20)17-3-1-2-10-21-17/h1-11H/b14-11+.
What are the key properties of (Z)-3-[5-(4-fluorophenyl)thiophen-2-yl]-2-pyridin-2-ylprop-2-enenitrile?
(Z)-3-[5-(4-fluorophenyl)thiophen-2-yl]-2-pyridin-2-ylprop-2-enenitrile has a molecular weight of 306.37 g/mol, XLogP of 5.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[5-(4-fluorophenyl)thiophen-2-yl]-2-pyridin-2-ylprop-2-enenitrile is sourced from PubChem (CID 24604426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).