5-ethenyl-3H-pyridin-4-imine

C7H8N2 — CID 173346384

IUPAC5-ethenyl-3H-pyridin-4-imine
SMILES[H]/N=C1\CC=NC=C1C=C
InChIInChI=1S/C7H8N2/c1-2-6-5-9-4-3-7(6)8/h2,4-5,8H,1,3H2/b8-7+
InChIKeyIWBPOUXIQPCQLF-BQYQJAHWSA-N
MW120.15 g/mol
LogP1.55
Rot. Bonds1

About 5-ethenyl-3H-pyridin-4-imine

5-ethenyl-3H-pyridin-4-imine (PubChem CID 173346384) has the molecular formula C7H8N2 and a molecular weight of 120.15 g/mol. Its IUPAC name is 5-ethenyl-3H-pyridin-4-imine.

Molecular Properties

Compound Name5-ethenyl-3H-pyridin-4-imine
PubChem CID173346384
Molecular FormulaC7H8N2
Molecular Weight120.15 g/mol
Exact Mass120.07
IUPAC Name5-ethenyl-3H-pyridin-4-imine
SMILES[H]/N=C1\CC=NC=C1C=C
InChIInChI=1S/C7H8N2/c1-2-6-5-9-4-3-7(6)8/h2,4-5,8H,1,3H2/b8-7+
InChIKeyIWBPOUXIQPCQLF-BQYQJAHWSA-N
XLogP1.55
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.15
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-3H-pyridin-4-imine?
The IUPAC name of 5-ethenyl-3H-pyridin-4-imine (CID 173346384) is 5-ethenyl-3H-pyridin-4-imine.
What is the SMILES notation for 5-ethenyl-3H-pyridin-4-imine?
The canonical SMILES for 5-ethenyl-3H-pyridin-4-imine is [H]/N=C1\CC=NC=C1C=C.
What is the InChIKey of 5-ethenyl-3H-pyridin-4-imine?
The InChIKey is IWBPOUXIQPCQLF-BQYQJAHWSA-N. The full InChI is InChI=1S/C7H8N2/c1-2-6-5-9-4-3-7(6)8/h2,4-5,8H,1,3H2/b8-7+.
What are the key properties of 5-ethenyl-3H-pyridin-4-imine?
5-ethenyl-3H-pyridin-4-imine has a molecular weight of 120.15 g/mol, XLogP of 1.55, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-3H-pyridin-4-imine is sourced from PubChem (CID 173346384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).