2-[(E)-2-pyridazin-4-ylethenyl]benzonitrile

C13H9N3 — CID 97243628

IUPAC2-[(E)-2-pyridazin-4-ylethenyl]benzonitrile
SMILESN#Cc1ccccc1/C=C/c1ccnnc1
InChIInChI=1S/C13H9N3/c14-9-13-4-2-1-3-12(13)6-5-11-7-8-15-16-10-11/h1-8,10H/b6-5+
InChIKeyOHVAPXTZKAHMKU-AATRIKPKSA-N
MW207.24 g/mol
LogP2.52
Rot. Bonds2

About 2-[(E)-2-pyridazin-4-ylethenyl]benzonitrile

2-[(E)-2-pyridazin-4-ylethenyl]benzonitrile (PubChem CID 97243628) has the molecular formula C13H9N3 and a molecular weight of 207.24 g/mol. Its IUPAC name is 2-[(E)-2-pyridazin-4-ylethenyl]benzonitrile.

Molecular Properties

Compound Name2-[(E)-2-pyridazin-4-ylethenyl]benzonitrile
PubChem CID97243628
Molecular FormulaC13H9N3
Molecular Weight207.24 g/mol
Exact Mass207.08
IUPAC Name2-[(E)-2-pyridazin-4-ylethenyl]benzonitrile
SMILESN#Cc1ccccc1/C=C/c1ccnnc1
InChIInChI=1S/C13H9N3/c14-9-13-4-2-1-3-12(13)6-5-11-7-8-15-16-10-11/h1-8,10H/b6-5+
InChIKeyOHVAPXTZKAHMKU-AATRIKPKSA-N
XLogP2.52
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 ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-pyridazin-4-ylethenyl]benzonitrile?
The IUPAC name of 2-[(E)-2-pyridazin-4-ylethenyl]benzonitrile (CID 97243628) is 2-[(E)-2-pyridazin-4-ylethenyl]benzonitrile.
What is the SMILES notation for 2-[(E)-2-pyridazin-4-ylethenyl]benzonitrile?
The canonical SMILES for 2-[(E)-2-pyridazin-4-ylethenyl]benzonitrile is N#Cc1ccccc1/C=C/c1ccnnc1.
What is the InChIKey of 2-[(E)-2-pyridazin-4-ylethenyl]benzonitrile?
The InChIKey is OHVAPXTZKAHMKU-AATRIKPKSA-N. The full InChI is InChI=1S/C13H9N3/c14-9-13-4-2-1-3-12(13)6-5-11-7-8-15-16-10-11/h1-8,10H/b6-5+.
What are the key properties of 2-[(E)-2-pyridazin-4-ylethenyl]benzonitrile?
2-[(E)-2-pyridazin-4-ylethenyl]benzonitrile has a molecular weight of 207.24 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-pyridazin-4-ylethenyl]benzonitrile is sourced from PubChem (CID 97243628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).