2-[(2,4-dibromo-6-methylphenyl)diazenyl]propanedinitrile

C10H6Br2N4 — CID 3029222

IUPAC2-[(2,4-dibromo-6-methylphenyl)diazenyl]propanedinitrile
SMILESCc1cc(Br)cc(Br)c1/N=N/C(C#N)C#N
InChIInChI=1S/C10H6Br2N4/c1-6-2-7(11)3-9(12)10(6)16-15-8(4-13)5-14/h2-3,8H,1H3/b16-15+
InChIKeyATKBQNFSJWRGBC-FOCLMDBBSA-N
MW341.99 g/mol
LogP4.02
Rot. Bonds2

About 2-[(2,4-dibromo-6-methylphenyl)diazenyl]propanedinitrile

2-[(2,4-dibromo-6-methylphenyl)diazenyl]propanedinitrile (PubChem CID 3029222) has the molecular formula C10H6Br2N4 and a molecular weight of 341.99 g/mol. Its IUPAC name is 2-[(2,4-dibromo-6-methylphenyl)diazenyl]propanedinitrile.

Molecular Properties

Compound Name2-[(2,4-dibromo-6-methylphenyl)diazenyl]propanedinitrile
PubChem CID3029222
Molecular FormulaC10H6Br2N4
Molecular Weight341.99 g/mol
Exact Mass339.90
IUPAC Name2-[(2,4-dibromo-6-methylphenyl)diazenyl]propanedinitrile
SMILESCc1cc(Br)cc(Br)c1/N=N/C(C#N)C#N
InChIInChI=1S/C10H6Br2N4/c1-6-2-7(11)3-9(12)10(6)16-15-8(4-13)5-14/h2-3,8H,1H3/b16-15+
InChIKeyATKBQNFSJWRGBC-FOCLMDBBSA-N
XLogP4.02
TPSA72.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.99
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 2-[(2,4-dibromo-6-methylphenyl)diazenyl]propanedinitrile?
The IUPAC name of 2-[(2,4-dibromo-6-methylphenyl)diazenyl]propanedinitrile (CID 3029222) is 2-[(2,4-dibromo-6-methylphenyl)diazenyl]propanedinitrile.
What is the SMILES notation for 2-[(2,4-dibromo-6-methylphenyl)diazenyl]propanedinitrile?
The canonical SMILES for 2-[(2,4-dibromo-6-methylphenyl)diazenyl]propanedinitrile is Cc1cc(Br)cc(Br)c1/N=N/C(C#N)C#N.
What is the InChIKey of 2-[(2,4-dibromo-6-methylphenyl)diazenyl]propanedinitrile?
The InChIKey is ATKBQNFSJWRGBC-FOCLMDBBSA-N. The full InChI is InChI=1S/C10H6Br2N4/c1-6-2-7(11)3-9(12)10(6)16-15-8(4-13)5-14/h2-3,8H,1H3/b16-15+.
What are the key properties of 2-[(2,4-dibromo-6-methylphenyl)diazenyl]propanedinitrile?
2-[(2,4-dibromo-6-methylphenyl)diazenyl]propanedinitrile has a molecular weight of 341.99 g/mol, XLogP of 4.02, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dibromo-6-methylphenyl)diazenyl]propanedinitrile is sourced from PubChem (CID 3029222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).