2-[(E)-2-pyridin-2-ylethenyl]benzonitrile

C14H10N2 — CID 23195662

IUPAC2-[(E)-2-pyridin-2-ylethenyl]benzonitrile
SMILESN#Cc1ccccc1/C=C/c1ccccn1
InChIInChI=1S/C14H10N2/c15-11-13-6-2-1-5-12(13)8-9-14-7-3-4-10-16-14/h1-10H/b9-8+
InChIKeyHTZNJCWBONSODB-CMDGGOBGSA-N
MW206.25 g/mol
LogP3.12
Rot. Bonds2

About 2-[(E)-2-pyridin-2-ylethenyl]benzonitrile

2-[(E)-2-pyridin-2-ylethenyl]benzonitrile (PubChem CID 23195662) has the molecular formula C14H10N2 and a molecular weight of 206.25 g/mol. Its IUPAC name is 2-[(E)-2-pyridin-2-ylethenyl]benzonitrile.

Molecular Properties

Compound Name2-[(E)-2-pyridin-2-ylethenyl]benzonitrile
PubChem CID23195662
Molecular FormulaC14H10N2
Molecular Weight206.25 g/mol
Exact Mass206.08
IUPAC Name2-[(E)-2-pyridin-2-ylethenyl]benzonitrile
SMILESN#Cc1ccccc1/C=C/c1ccccn1
InChIInChI=1S/C14H10N2/c15-11-13-6-2-1-5-12(13)8-9-14-7-3-4-10-16-14/h1-10H/b9-8+
InChIKeyHTZNJCWBONSODB-CMDGGOBGSA-N
XLogP3.12
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-pyridin-2-ylethenyl]benzonitrile?
The IUPAC name of 2-[(E)-2-pyridin-2-ylethenyl]benzonitrile (CID 23195662) is 2-[(E)-2-pyridin-2-ylethenyl]benzonitrile.
What is the SMILES notation for 2-[(E)-2-pyridin-2-ylethenyl]benzonitrile?
The canonical SMILES for 2-[(E)-2-pyridin-2-ylethenyl]benzonitrile is N#Cc1ccccc1/C=C/c1ccccn1.
What is the InChIKey of 2-[(E)-2-pyridin-2-ylethenyl]benzonitrile?
The InChIKey is HTZNJCWBONSODB-CMDGGOBGSA-N. The full InChI is InChI=1S/C14H10N2/c15-11-13-6-2-1-5-12(13)8-9-14-7-3-4-10-16-14/h1-10H/b9-8+.
What are the key properties of 2-[(E)-2-pyridin-2-ylethenyl]benzonitrile?
2-[(E)-2-pyridin-2-ylethenyl]benzonitrile has a molecular weight of 206.25 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-pyridin-2-ylethenyl]benzonitrile is sourced from PubChem (CID 23195662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).