3-[(E)-2-(3-isocyanophenyl)ethenyl]pyridine

C14H10N2 — CID 122188186

IUPAC3-[(E)-2-(3-isocyanophenyl)ethenyl]pyridine
SMILES[C-]#[N+]c1cccc(/C=C/c2cccnc2)c1
InChIInChI=1S/C14H10N2/c1-15-14-6-2-4-12(10-14)7-8-13-5-3-9-16-11-13/h2-11H/b8-7+
InChIKeyOGYHVKPIVGXTMF-BQYQJAHWSA-N
MW206.25 g/mol
LogP3.80
Rot. Bonds2

About 3-[(E)-2-(3-isocyanophenyl)ethenyl]pyridine

3-[(E)-2-(3-isocyanophenyl)ethenyl]pyridine (PubChem CID 122188186) has the molecular formula C14H10N2 and a molecular weight of 206.25 g/mol. Its IUPAC name is 3-[(E)-2-(3-isocyanophenyl)ethenyl]pyridine.

Molecular Properties

Compound Name3-[(E)-2-(3-isocyanophenyl)ethenyl]pyridine
PubChem CID122188186
Molecular FormulaC14H10N2
Molecular Weight206.25 g/mol
Exact Mass206.08
IUPAC Name3-[(E)-2-(3-isocyanophenyl)ethenyl]pyridine
SMILES[C-]#[N+]c1cccc(/C=C/c2cccnc2)c1
InChIInChI=1S/C14H10N2/c1-15-14-6-2-4-12(10-14)7-8-13-5-3-9-16-11-13/h2-11H/b8-7+
InChIKeyOGYHVKPIVGXTMF-BQYQJAHWSA-N
XLogP3.80
TPSA17.25 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-(3-isocyanophenyl)ethenyl]pyridine?
The IUPAC name of 3-[(E)-2-(3-isocyanophenyl)ethenyl]pyridine (CID 122188186) is 3-[(E)-2-(3-isocyanophenyl)ethenyl]pyridine.
What is the SMILES notation for 3-[(E)-2-(3-isocyanophenyl)ethenyl]pyridine?
The canonical SMILES for 3-[(E)-2-(3-isocyanophenyl)ethenyl]pyridine is [C-]#[N+]c1cccc(/C=C/c2cccnc2)c1.
What is the InChIKey of 3-[(E)-2-(3-isocyanophenyl)ethenyl]pyridine?
The InChIKey is OGYHVKPIVGXTMF-BQYQJAHWSA-N. The full InChI is InChI=1S/C14H10N2/c1-15-14-6-2-4-12(10-14)7-8-13-5-3-9-16-11-13/h2-11H/b8-7+.
What are the key properties of 3-[(E)-2-(3-isocyanophenyl)ethenyl]pyridine?
3-[(E)-2-(3-isocyanophenyl)ethenyl]pyridine has a molecular weight of 206.25 g/mol, XLogP of 3.80, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-(3-isocyanophenyl)ethenyl]pyridine is sourced from PubChem (CID 122188186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).