(Z)-2-pyridin-2-yl-3-thiophen-3-ylprop-2-enenitrile

C12H8N2S — CID 7911576

IUPAC(Z)-2-pyridin-2-yl-3-thiophen-3-ylprop-2-enenitrile
SMILESN#C/C(=C\c1ccsc1)c1ccccn1
InChIInChI=1S/C12H8N2S/c13-8-11(7-10-4-6-15-9-10)12-3-1-2-5-14-12/h1-7,9H/b11-7+
InChIKeyZXPOZPZALZIMPF-YRNVUSSQSA-N
MW212.28 g/mol
LogP3.21
Rot. Bonds2

About (Z)-2-pyridin-2-yl-3-thiophen-3-ylprop-2-enenitrile

(Z)-2-pyridin-2-yl-3-thiophen-3-ylprop-2-enenitrile (PubChem CID 7911576) has the molecular formula C12H8N2S and a molecular weight of 212.28 g/mol. Its IUPAC name is (Z)-2-pyridin-2-yl-3-thiophen-3-ylprop-2-enenitrile.

Molecular Properties

Compound Name(Z)-2-pyridin-2-yl-3-thiophen-3-ylprop-2-enenitrile
PubChem CID7911576
Molecular FormulaC12H8N2S
Molecular Weight212.28 g/mol
Exact Mass212.04
IUPAC Name(Z)-2-pyridin-2-yl-3-thiophen-3-ylprop-2-enenitrile
SMILESN#C/C(=C\c1ccsc1)c1ccccn1
InChIInChI=1S/C12H8N2S/c13-8-11(7-10-4-6-15-9-10)12-3-1-2-5-14-12/h1-7,9H/b11-7+
InChIKeyZXPOZPZALZIMPF-YRNVUSSQSA-N
XLogP3.21
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.28
LogP ≤ 53.21
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)-2-pyridin-2-yl-3-thiophen-3-ylprop-2-enenitrile?
The IUPAC name of (Z)-2-pyridin-2-yl-3-thiophen-3-ylprop-2-enenitrile (CID 7911576) is (Z)-2-pyridin-2-yl-3-thiophen-3-ylprop-2-enenitrile.
What is the SMILES notation for (Z)-2-pyridin-2-yl-3-thiophen-3-ylprop-2-enenitrile?
The canonical SMILES for (Z)-2-pyridin-2-yl-3-thiophen-3-ylprop-2-enenitrile is N#C/C(=C\c1ccsc1)c1ccccn1.
What is the InChIKey of (Z)-2-pyridin-2-yl-3-thiophen-3-ylprop-2-enenitrile?
The InChIKey is ZXPOZPZALZIMPF-YRNVUSSQSA-N. The full InChI is InChI=1S/C12H8N2S/c13-8-11(7-10-4-6-15-9-10)12-3-1-2-5-14-12/h1-7,9H/b11-7+.
What are the key properties of (Z)-2-pyridin-2-yl-3-thiophen-3-ylprop-2-enenitrile?
(Z)-2-pyridin-2-yl-3-thiophen-3-ylprop-2-enenitrile has a molecular weight of 212.28 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-pyridin-2-yl-3-thiophen-3-ylprop-2-enenitrile is sourced from PubChem (CID 7911576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).