3-[(E)-2-pyridin-3-ylethenyl]benzonitrile

C14H10N2 — CID 12006310

IUPAC3-[(E)-2-pyridin-3-ylethenyl]benzonitrile
SMILESN#Cc1cccc(/C=C/c2cccnc2)c1
InChIInChI=1S/C14H10N2/c15-10-14-4-1-3-12(9-14)6-7-13-5-2-8-16-11-13/h1-9,11H/b7-6+
InChIKeyJUXMMLIQRTVBBV-VOTSOKGWSA-N
MW206.25 g/mol
LogP3.12
Rot. Bonds2

About 3-[(E)-2-pyridin-3-ylethenyl]benzonitrile

3-[(E)-2-pyridin-3-ylethenyl]benzonitrile (PubChem CID 12006310) has the molecular formula C14H10N2 and a molecular weight of 206.25 g/mol. Its IUPAC name is 3-[(E)-2-pyridin-3-ylethenyl]benzonitrile.

Molecular Properties

Compound Name3-[(E)-2-pyridin-3-ylethenyl]benzonitrile
PubChem CID12006310
Molecular FormulaC14H10N2
Molecular Weight206.25 g/mol
Exact Mass206.08
IUPAC Name3-[(E)-2-pyridin-3-ylethenyl]benzonitrile
SMILESN#Cc1cccc(/C=C/c2cccnc2)c1
InChIInChI=1S/C14H10N2/c15-10-14-4-1-3-12(9-14)6-7-13-5-2-8-16-11-13/h1-9,11H/b7-6+
InChIKeyJUXMMLIQRTVBBV-VOTSOKGWSA-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 3-[(E)-2-pyridin-3-ylethenyl]benzonitrile?
The IUPAC name of 3-[(E)-2-pyridin-3-ylethenyl]benzonitrile (CID 12006310) is 3-[(E)-2-pyridin-3-ylethenyl]benzonitrile.
What is the SMILES notation for 3-[(E)-2-pyridin-3-ylethenyl]benzonitrile?
The canonical SMILES for 3-[(E)-2-pyridin-3-ylethenyl]benzonitrile is N#Cc1cccc(/C=C/c2cccnc2)c1.
What is the InChIKey of 3-[(E)-2-pyridin-3-ylethenyl]benzonitrile?
The InChIKey is JUXMMLIQRTVBBV-VOTSOKGWSA-N. The full InChI is InChI=1S/C14H10N2/c15-10-14-4-1-3-12(9-14)6-7-13-5-2-8-16-11-13/h1-9,11H/b7-6+.
What are the key properties of 3-[(E)-2-pyridin-3-ylethenyl]benzonitrile?
3-[(E)-2-pyridin-3-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 3-[(E)-2-pyridin-3-ylethenyl]benzonitrile is sourced from PubChem (CID 12006310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).