phenyl(1-pyridin-2-ylethyl)diazene

C13H13N3 — CID 91409082

IUPACphenyl(1-pyridin-2-ylethyl)diazene
SMILESCC(/N=N/c1ccccc1)c1ccccn1
InChIInChI=1S/C13H13N3/c1-11(13-9-5-6-10-14-13)15-16-12-7-3-2-4-8-12/h2-11H,1H3/b16-15+
InChIKeyVINOPHYTFFAZMA-FOCLMDBBSA-N
MW211.27 g/mol
LogP3.93
Rot. Bonds3

About phenyl(1-pyridin-2-ylethyl)diazene

phenyl(1-pyridin-2-ylethyl)diazene (PubChem CID 91409082) has the molecular formula C13H13N3 and a molecular weight of 211.27 g/mol. Its IUPAC name is phenyl(1-pyridin-2-ylethyl)diazene.

Molecular Properties

Compound Namephenyl(1-pyridin-2-ylethyl)diazene
PubChem CID91409082
Molecular FormulaC13H13N3
Molecular Weight211.27 g/mol
Exact Mass211.11
IUPAC Namephenyl(1-pyridin-2-ylethyl)diazene
SMILESCC(/N=N/c1ccccc1)c1ccccn1
InChIInChI=1S/C13H13N3/c1-11(13-9-5-6-10-14-13)15-16-12-7-3-2-4-8-12/h2-11H,1H3/b16-15+
InChIKeyVINOPHYTFFAZMA-FOCLMDBBSA-N
XLogP3.93
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of phenyl(1-pyridin-2-ylethyl)diazene?
The IUPAC name of phenyl(1-pyridin-2-ylethyl)diazene (CID 91409082) is phenyl(1-pyridin-2-ylethyl)diazene.
What is the SMILES notation for phenyl(1-pyridin-2-ylethyl)diazene?
The canonical SMILES for phenyl(1-pyridin-2-ylethyl)diazene is CC(/N=N/c1ccccc1)c1ccccn1.
What is the InChIKey of phenyl(1-pyridin-2-ylethyl)diazene?
The InChIKey is VINOPHYTFFAZMA-FOCLMDBBSA-N. The full InChI is InChI=1S/C13H13N3/c1-11(13-9-5-6-10-14-13)15-16-12-7-3-2-4-8-12/h2-11H,1H3/b16-15+.
What are the key properties of phenyl(1-pyridin-2-ylethyl)diazene?
phenyl(1-pyridin-2-ylethyl)diazene has a molecular weight of 211.27 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl(1-pyridin-2-ylethyl)diazene is sourced from PubChem (CID 91409082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).