2-[[(2-chlorophenyl)diazenyl]methyl]propanedinitrile

C10H7ClN4 — CID 19300

IUPAC2-[[(2-chlorophenyl)diazenyl]methyl]propanedinitrile
SMILESN#CC(C#N)C/N=N/c1ccccc1Cl
InChIInChI=1S/C10H7ClN4/c11-9-3-1-2-4-10(9)15-14-7-8(5-12)6-13/h1-4,8H,7H2/b15-14+
InChIKeyHLTXLQRPVIBKGQ-CCEZHUSRSA-N
MW218.65 g/mol
LogP3.09
Rot. Bonds3

About 2-[[(2-chlorophenyl)diazenyl]methyl]propanedinitrile

2-[[(2-chlorophenyl)diazenyl]methyl]propanedinitrile (PubChem CID 19300) has the molecular formula C10H7ClN4 and a molecular weight of 218.65 g/mol. Its IUPAC name is 2-[[(2-chlorophenyl)diazenyl]methyl]propanedinitrile.

Molecular Properties

Compound Name2-[[(2-chlorophenyl)diazenyl]methyl]propanedinitrile
PubChem CID19300
Molecular FormulaC10H7ClN4
Molecular Weight218.65 g/mol
Exact Mass218.04
IUPAC Name2-[[(2-chlorophenyl)diazenyl]methyl]propanedinitrile
SMILESN#CC(C#N)C/N=N/c1ccccc1Cl
InChIInChI=1S/C10H7ClN4/c11-9-3-1-2-4-10(9)15-14-7-8(5-12)6-13/h1-4,8H,7H2/b15-14+
InChIKeyHLTXLQRPVIBKGQ-CCEZHUSRSA-N
XLogP3.09
TPSA72.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.65
LogP ≤ 53.09
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-chlorophenyl)diazenyl]methyl]propanedinitrile?
The IUPAC name of 2-[[(2-chlorophenyl)diazenyl]methyl]propanedinitrile (CID 19300) is 2-[[(2-chlorophenyl)diazenyl]methyl]propanedinitrile.
What is the SMILES notation for 2-[[(2-chlorophenyl)diazenyl]methyl]propanedinitrile?
The canonical SMILES for 2-[[(2-chlorophenyl)diazenyl]methyl]propanedinitrile is N#CC(C#N)C/N=N/c1ccccc1Cl.
What is the InChIKey of 2-[[(2-chlorophenyl)diazenyl]methyl]propanedinitrile?
The InChIKey is HLTXLQRPVIBKGQ-CCEZHUSRSA-N. The full InChI is InChI=1S/C10H7ClN4/c11-9-3-1-2-4-10(9)15-14-7-8(5-12)6-13/h1-4,8H,7H2/b15-14+.
What are the key properties of 2-[[(2-chlorophenyl)diazenyl]methyl]propanedinitrile?
2-[[(2-chlorophenyl)diazenyl]methyl]propanedinitrile has a molecular weight of 218.65 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-chlorophenyl)diazenyl]methyl]propanedinitrile is sourced from PubChem (CID 19300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).