2-[(4-iodo-2-methylphenyl)diazenyl]propanedinitrile

C10H7IN4 — CID 22352

IUPAC2-[(4-iodo-2-methylphenyl)diazenyl]propanedinitrile
SMILESCc1cc(I)ccc1/N=N/C(C#N)C#N
InChIInChI=1S/C10H7IN4/c1-7-4-8(11)2-3-10(7)15-14-9(5-12)6-13/h2-4,9H,1H3/b15-14+
InChIKeyMNLKRVUBQFLLRP-CCEZHUSRSA-N
MW310.10 g/mol
LogP3.10
Rot. Bonds2

About 2-[(4-iodo-2-methylphenyl)diazenyl]propanedinitrile

2-[(4-iodo-2-methylphenyl)diazenyl]propanedinitrile (PubChem CID 22352) has the molecular formula C10H7IN4 and a molecular weight of 310.10 g/mol. Its IUPAC name is 2-[(4-iodo-2-methylphenyl)diazenyl]propanedinitrile.

Molecular Properties

Compound Name2-[(4-iodo-2-methylphenyl)diazenyl]propanedinitrile
PubChem CID22352
Molecular FormulaC10H7IN4
Molecular Weight310.10 g/mol
Exact Mass309.97
IUPAC Name2-[(4-iodo-2-methylphenyl)diazenyl]propanedinitrile
SMILESCc1cc(I)ccc1/N=N/C(C#N)C#N
InChIInChI=1S/C10H7IN4/c1-7-4-8(11)2-3-10(7)15-14-9(5-12)6-13/h2-4,9H,1H3/b15-14+
InChIKeyMNLKRVUBQFLLRP-CCEZHUSRSA-N
XLogP3.10
TPSA72.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.10
LogP ≤ 53.10
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

(o-Tolylazo)malononitrile
CID 21605
(m-Tolylazo)malononitrile
CID 19497
(p-Tolylazo)malononitrile
CID 21604
3,3-Dimethyl-1-(o-tolyl)triazene
CID 88423
1-Azido-2-methylbenzene
CID 141652
1-Isocyano-2-methylbenzene
CID 575991
2-Azidobenzonitrile
CID 4021315
Methyl(p-tolylazo)malononitrile
CID 19299
((p-Iodophenyl)azo)malononitrile
CID 22349
2-Isocyanobenzonitrile
CID 3873366
Methyl(m-tolylazo)malononitrile
CID 19298
Ethyl(o-tolylazo)malononitrile
CID 19304

Frequently Asked Questions

What is the IUPAC name of 2-[(4-iodo-2-methylphenyl)diazenyl]propanedinitrile?
The IUPAC name of 2-[(4-iodo-2-methylphenyl)diazenyl]propanedinitrile (CID 22352) is 2-[(4-iodo-2-methylphenyl)diazenyl]propanedinitrile.
What is the SMILES notation for 2-[(4-iodo-2-methylphenyl)diazenyl]propanedinitrile?
The canonical SMILES for 2-[(4-iodo-2-methylphenyl)diazenyl]propanedinitrile is Cc1cc(I)ccc1/N=N/C(C#N)C#N.
What is the InChIKey of 2-[(4-iodo-2-methylphenyl)diazenyl]propanedinitrile?
The InChIKey is MNLKRVUBQFLLRP-CCEZHUSRSA-N. The full InChI is InChI=1S/C10H7IN4/c1-7-4-8(11)2-3-10(7)15-14-9(5-12)6-13/h2-4,9H,1H3/b15-14+.
What are the key properties of 2-[(4-iodo-2-methylphenyl)diazenyl]propanedinitrile?
2-[(4-iodo-2-methylphenyl)diazenyl]propanedinitrile has a molecular weight of 310.10 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-iodo-2-methylphenyl)diazenyl]propanedinitrile is sourced from PubChem (CID 22352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).