(Z)-2-pyridin-3-yl-3-pyridin-4-ylprop-2-enenitrile

C13H9N3 — CID 19707387

IUPAC(Z)-2-pyridin-3-yl-3-pyridin-4-ylprop-2-enenitrile
SMILESN#C/C(=C\c1ccncc1)c1cccnc1
InChIInChI=1S/C13H9N3/c14-9-13(12-2-1-5-16-10-12)8-11-3-6-15-7-4-11/h1-8,10H/b13-8+
InChIKeyOETWWBPUVUGMGV-MDWZMJQESA-N
MW207.24 g/mol
LogP2.54
Rot. Bonds2

About (Z)-2-pyridin-3-yl-3-pyridin-4-ylprop-2-enenitrile

(Z)-2-pyridin-3-yl-3-pyridin-4-ylprop-2-enenitrile (PubChem CID 19707387) has the molecular formula C13H9N3 and a molecular weight of 207.24 g/mol. Its IUPAC name is (Z)-2-pyridin-3-yl-3-pyridin-4-ylprop-2-enenitrile.

Molecular Properties

Compound Name(Z)-2-pyridin-3-yl-3-pyridin-4-ylprop-2-enenitrile
PubChem CID19707387
Molecular FormulaC13H9N3
Molecular Weight207.24 g/mol
Exact Mass207.08
IUPAC Name(Z)-2-pyridin-3-yl-3-pyridin-4-ylprop-2-enenitrile
SMILESN#C/C(=C\c1ccncc1)c1cccnc1
InChIInChI=1S/C13H9N3/c14-9-13(12-2-1-5-16-10-12)8-11-3-6-15-7-4-11/h1-8,10H/b13-8+
InChIKeyOETWWBPUVUGMGV-MDWZMJQESA-N
XLogP2.54
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 52.54
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-3-yl-3-pyridin-4-ylprop-2-enenitrile?
The IUPAC name of (Z)-2-pyridin-3-yl-3-pyridin-4-ylprop-2-enenitrile (CID 19707387) is (Z)-2-pyridin-3-yl-3-pyridin-4-ylprop-2-enenitrile.
What is the SMILES notation for (Z)-2-pyridin-3-yl-3-pyridin-4-ylprop-2-enenitrile?
The canonical SMILES for (Z)-2-pyridin-3-yl-3-pyridin-4-ylprop-2-enenitrile is N#C/C(=C\c1ccncc1)c1cccnc1.
What is the InChIKey of (Z)-2-pyridin-3-yl-3-pyridin-4-ylprop-2-enenitrile?
The InChIKey is OETWWBPUVUGMGV-MDWZMJQESA-N. The full InChI is InChI=1S/C13H9N3/c14-9-13(12-2-1-5-16-10-12)8-11-3-6-15-7-4-11/h1-8,10H/b13-8+.
What are the key properties of (Z)-2-pyridin-3-yl-3-pyridin-4-ylprop-2-enenitrile?
(Z)-2-pyridin-3-yl-3-pyridin-4-ylprop-2-enenitrile has a molecular weight of 207.24 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-pyridin-3-yl-3-pyridin-4-ylprop-2-enenitrile is sourced from PubChem (CID 19707387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).