2-[(4-chlorophenyl)diazenyl]propanedinitrile

C9H5ClN4 — CID 13435

IUPAC2-[(4-chlorophenyl)diazenyl]propanedinitrile
SMILESN#CC(C#N)/N=N/c1ccc(Cl)cc1
InChIInChI=1S/C9H5ClN4/c10-7-1-3-8(4-2-7)13-14-9(5-11)6-12/h1-4,9H/b14-13+
InChIKeyVSRWRLJPOOTNFT-BUHFOSPRSA-N
MW204.62 g/mol
LogP2.84
Rot. Bonds2

About 2-[(4-chlorophenyl)diazenyl]propanedinitrile

2-[(4-chlorophenyl)diazenyl]propanedinitrile (PubChem CID 13435) has the molecular formula C9H5ClN4 and a molecular weight of 204.62 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)diazenyl]propanedinitrile.

Molecular Properties

Compound Name2-[(4-chlorophenyl)diazenyl]propanedinitrile
PubChem CID13435
Molecular FormulaC9H5ClN4
Molecular Weight204.62 g/mol
Exact Mass204.02
IUPAC Name2-[(4-chlorophenyl)diazenyl]propanedinitrile
SMILESN#CC(C#N)/N=N/c1ccc(Cl)cc1
InChIInChI=1S/C9H5ClN4/c10-7-1-3-8(4-2-7)13-14-9(5-11)6-12/h1-4,9H/b14-13+
InChIKeyVSRWRLJPOOTNFT-BUHFOSPRSA-N
XLogP2.84
TPSA72.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.62
LogP ≤ 52.84
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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Related Compounds

4,4'-Dichloroazobenzene
CID 15340
1-(4-Chlorophenyl)-3,3-dimethyl-1-triazene
CID 23605
2-(2-Phenyldiazenyl)propanedinitrile
CID 22347
((2,5-Dichlorophenyl)azo)malononitrile
CID 19905
4-Chlorophenyl isocyanide
CID 74670
1-(4-Chlorophenyl)-2-phenyldiazene
CID 20349
2-Chlorophenylazomalononitrile
CID 22348
((m-Chlorophenyl)azo)malononitrile
CID 19492
Benzene, 1-azido-4-chloro-
CID 76803
1-Azido-2-chlorobenzene
CID 11412488
((o-Chlorophenyl)azo)methylmalononitrile
CID 19300
1-Azido-3-chlorobenzene
CID 11073628

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)diazenyl]propanedinitrile?
The IUPAC name of 2-[(4-chlorophenyl)diazenyl]propanedinitrile (CID 13435) is 2-[(4-chlorophenyl)diazenyl]propanedinitrile.
What is the SMILES notation for 2-[(4-chlorophenyl)diazenyl]propanedinitrile?
The canonical SMILES for 2-[(4-chlorophenyl)diazenyl]propanedinitrile is N#CC(C#N)/N=N/c1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)diazenyl]propanedinitrile?
The InChIKey is VSRWRLJPOOTNFT-BUHFOSPRSA-N. The full InChI is InChI=1S/C9H5ClN4/c10-7-1-3-8(4-2-7)13-14-9(5-11)6-12/h1-4,9H/b14-13+.
What are the key properties of 2-[(4-chlorophenyl)diazenyl]propanedinitrile?
2-[(4-chlorophenyl)diazenyl]propanedinitrile has a molecular weight of 204.62 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)diazenyl]propanedinitrile is sourced from PubChem (CID 13435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).