(5-iodo-2-pyridinyl)-phenyldiazene

C11H8IN3 — CID 54591553

IUPAC(5-iodo-2-pyridinyl)-phenyldiazene
SMILESIc1ccc(/N=N/c2ccccc2)nc1
InChIInChI=1S/C11H8IN3/c12-9-6-7-11(13-8-9)15-14-10-4-2-1-3-5-10/h1-8H/b15-14+
InChIKeyIBINRXCKJINMPX-CCEZHUSRSA-N
MW309.11 g/mol
LogP4.10
Rot. Bonds2

About (5-iodo-2-pyridinyl)-phenyldiazene

(5-iodo-2-pyridinyl)-phenyldiazene (PubChem CID 54591553) has the molecular formula C11H8IN3 and a molecular weight of 309.11 g/mol. Its IUPAC name is (5-iodo-2-pyridinyl)-phenyldiazene.

Molecular Properties

Compound Name(5-iodo-2-pyridinyl)-phenyldiazene
PubChem CID54591553
Molecular FormulaC11H8IN3
Molecular Weight309.11 g/mol
Exact Mass308.98
IUPAC Name(5-iodo-2-pyridinyl)-phenyldiazene
SMILESIc1ccc(/N=N/c2ccccc2)nc1
InChIInChI=1S/C11H8IN3/c12-9-6-7-11(13-8-9)15-14-10-4-2-1-3-5-10/h1-8H/b15-14+
InChIKeyIBINRXCKJINMPX-CCEZHUSRSA-N
XLogP4.10
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.11
LogP ≤ 54.10
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5-iodo-2-pyridinyl)-phenyldiazene?
The IUPAC name of (5-iodo-2-pyridinyl)-phenyldiazene (CID 54591553) is (5-iodo-2-pyridinyl)-phenyldiazene.
What is the SMILES notation for (5-iodo-2-pyridinyl)-phenyldiazene?
The canonical SMILES for (5-iodo-2-pyridinyl)-phenyldiazene is Ic1ccc(/N=N/c2ccccc2)nc1.
What is the InChIKey of (5-iodo-2-pyridinyl)-phenyldiazene?
The InChIKey is IBINRXCKJINMPX-CCEZHUSRSA-N. The full InChI is InChI=1S/C11H8IN3/c12-9-6-7-11(13-8-9)15-14-10-4-2-1-3-5-10/h1-8H/b15-14+.
What are the key properties of (5-iodo-2-pyridinyl)-phenyldiazene?
(5-iodo-2-pyridinyl)-phenyldiazene has a molecular weight of 309.11 g/mol, XLogP of 4.10, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-iodo-2-pyridinyl)-phenyldiazene is sourced from PubChem (CID 54591553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).