(4-methyl-3-pyridinyl)-phenyldiazene

C12H11N3 — CID 121008479

IUPAC(4-methyl-3-pyridinyl)-phenyldiazene
SMILESCc1ccncc1/N=N/c1ccccc1
InChIInChI=1S/C12H11N3/c1-10-7-8-13-9-12(10)15-14-11-5-3-2-4-6-11/h2-9H,1H3/b15-14+
InChIKeyIJPMEQFEMAVAFG-CCEZHUSRSA-N
MW197.24 g/mol
LogP3.81
Rot. Bonds2

About (4-methyl-3-pyridinyl)-phenyldiazene

(4-methyl-3-pyridinyl)-phenyldiazene (PubChem CID 121008479) has the molecular formula C12H11N3 and a molecular weight of 197.24 g/mol. Its IUPAC name is (4-methyl-3-pyridinyl)-phenyldiazene.

Molecular Properties

Compound Name(4-methyl-3-pyridinyl)-phenyldiazene
PubChem CID121008479
Molecular FormulaC12H11N3
Molecular Weight197.24 g/mol
Exact Mass197.10
IUPAC Name(4-methyl-3-pyridinyl)-phenyldiazene
SMILESCc1ccncc1/N=N/c1ccccc1
InChIInChI=1S/C12H11N3/c1-10-7-8-13-9-12(10)15-14-11-5-3-2-4-6-11/h2-9H,1H3/b15-14+
InChIKeyIJPMEQFEMAVAFG-CCEZHUSRSA-N
XLogP3.81
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 53.81
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 (4-methyl-3-pyridinyl)-phenyldiazene?
The IUPAC name of (4-methyl-3-pyridinyl)-phenyldiazene (CID 121008479) is (4-methyl-3-pyridinyl)-phenyldiazene.
What is the SMILES notation for (4-methyl-3-pyridinyl)-phenyldiazene?
The canonical SMILES for (4-methyl-3-pyridinyl)-phenyldiazene is Cc1ccncc1/N=N/c1ccccc1.
What is the InChIKey of (4-methyl-3-pyridinyl)-phenyldiazene?
The InChIKey is IJPMEQFEMAVAFG-CCEZHUSRSA-N. The full InChI is InChI=1S/C12H11N3/c1-10-7-8-13-9-12(10)15-14-11-5-3-2-4-6-11/h2-9H,1H3/b15-14+.
What are the key properties of (4-methyl-3-pyridinyl)-phenyldiazene?
(4-methyl-3-pyridinyl)-phenyldiazene has a molecular weight of 197.24 g/mol, XLogP of 3.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-3-pyridinyl)-phenyldiazene is sourced from PubChem (CID 121008479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).