(3,5-dibromo-4-pyridinyl)methyl-ethyldiazene

C8H9Br2N3 — CID 91089495

IUPAC(3,5-dibromo-4-pyridinyl)methyl-ethyldiazene
SMILESCC/N=N/Cc1c(Br)cncc1Br
InChIInChI=1S/C8H9Br2N3/c1-2-12-13-3-6-7(9)4-11-5-8(6)10/h4-5H,2-3H2,1H3/b13-12+
InChIKeyLHKJMCURNWXMOG-OUKQBFOZSA-N
MW306.99 g/mol
LogP3.58
Rot. Bonds3

About (3,5-dibromo-4-pyridinyl)methyl-ethyldiazene

(3,5-dibromo-4-pyridinyl)methyl-ethyldiazene (PubChem CID 91089495) has the molecular formula C8H9Br2N3 and a molecular weight of 306.99 g/mol. Its IUPAC name is (3,5-dibromo-4-pyridinyl)methyl-ethyldiazene.

Molecular Properties

Compound Name(3,5-dibromo-4-pyridinyl)methyl-ethyldiazene
PubChem CID91089495
Molecular FormulaC8H9Br2N3
Molecular Weight306.99 g/mol
Exact Mass304.92
IUPAC Name(3,5-dibromo-4-pyridinyl)methyl-ethyldiazene
SMILESCC/N=N/Cc1c(Br)cncc1Br
InChIInChI=1S/C8H9Br2N3/c1-2-12-13-3-6-7(9)4-11-5-8(6)10/h4-5H,2-3H2,1H3/b13-12+
InChIKeyLHKJMCURNWXMOG-OUKQBFOZSA-N
XLogP3.58
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.99
LogP ≤ 53.58
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 (3,5-dibromo-4-pyridinyl)methyl-ethyldiazene?
The IUPAC name of (3,5-dibromo-4-pyridinyl)methyl-ethyldiazene (CID 91089495) is (3,5-dibromo-4-pyridinyl)methyl-ethyldiazene.
What is the SMILES notation for (3,5-dibromo-4-pyridinyl)methyl-ethyldiazene?
The canonical SMILES for (3,5-dibromo-4-pyridinyl)methyl-ethyldiazene is CC/N=N/Cc1c(Br)cncc1Br.
What is the InChIKey of (3,5-dibromo-4-pyridinyl)methyl-ethyldiazene?
The InChIKey is LHKJMCURNWXMOG-OUKQBFOZSA-N. The full InChI is InChI=1S/C8H9Br2N3/c1-2-12-13-3-6-7(9)4-11-5-8(6)10/h4-5H,2-3H2,1H3/b13-12+.
What are the key properties of (3,5-dibromo-4-pyridinyl)methyl-ethyldiazene?
(3,5-dibromo-4-pyridinyl)methyl-ethyldiazene has a molecular weight of 306.99 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dibromo-4-pyridinyl)methyl-ethyldiazene is sourced from PubChem (CID 91089495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).