2-[(2-chloro-4-iodophenyl)hydrazinylidene]propanedinitrile

C9H4ClIN4 — CID 169337512

IUPAC2-[(2-chloro-4-iodophenyl)hydrazinylidene]propanedinitrile
SMILESN#CC(C#N)=NNc1ccc(I)cc1Cl
InChIInChI=1S/C9H4ClIN4/c10-8-3-6(11)1-2-9(8)15-14-7(4-12)5-13/h1-3,15H
InChIKeyUDIGYZZJTBGPEN-UHFFFAOYSA-N
MW330.52 g/mol
LogP2.76
Rot. Bonds2

About 2-[(2-chloro-4-iodophenyl)hydrazinylidene]propanedinitrile

2-[(2-chloro-4-iodophenyl)hydrazinylidene]propanedinitrile (PubChem CID 169337512) has the molecular formula C9H4ClIN4 and a molecular weight of 330.52 g/mol. Its IUPAC name is 2-[(2-chloro-4-iodophenyl)hydrazinylidene]propanedinitrile.

Molecular Properties

Compound Name2-[(2-chloro-4-iodophenyl)hydrazinylidene]propanedinitrile
PubChem CID169337512
Molecular FormulaC9H4ClIN4
Molecular Weight330.52 g/mol
Exact Mass329.92
IUPAC Name2-[(2-chloro-4-iodophenyl)hydrazinylidene]propanedinitrile
SMILESN#CC(C#N)=NNc1ccc(I)cc1Cl
InChIInChI=1S/C9H4ClIN4/c10-8-3-6(11)1-2-9(8)15-14-7(4-12)5-13/h1-3,15H
InChIKeyUDIGYZZJTBGPEN-UHFFFAOYSA-N
XLogP2.76
TPSA71.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.52
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyano_imine_B(17)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(1E)-2-amino-N-(2-chloro-4-iodoanilino)-2-oxoethanimidoyl cyanide
CID 87996914
2-amino-N-(2-chloro-4-iodoanilino)-2-oxoethanimidoyl cyanide
CID 86045353
2-[(4,5-dichloro-2-cyanophenyl)hydrazinylidene]propanedinitrile
CID 169341494
2-[(3-bromo-2,4-dichlorophenyl)hydrazinylidene]propanedinitrile
CID 169341444
2-[(4-chloro-2-sulfanylphenyl)hydrazinylidene]propanedinitrile
CID 169340826
2-[(2-ethoxy-5-iodophenyl)hydrazinylidene]propanedinitrile
CID 169341191
ethyl 2-[2-(dicyanomethylidene)hydrazinyl]-5-iodobenzoate
CID 169337413
2-[(2-chloro-5-methoxyphenyl)hydrazinylidene]propanedinitrile
CID 169337574
2-[(2-iodo-4-methoxyphenyl)hydrazinylidene]propanedinitrile
CID 169337862
2-[(2-chloro-5-pyrrol-1-ylphenyl)hydrazinylidene]propanedinitrile
CID 169340013
5-chloro-2-[2-(dicyanomethylidene)hydrazinyl]-N-methylbenzamide
CID 169338329
methyl 5-chloro-2-[2-(dicyanomethylidene)hydrazinyl]benzoate
CID 169341688

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-4-iodophenyl)hydrazinylidene]propanedinitrile?
The IUPAC name of 2-[(2-chloro-4-iodophenyl)hydrazinylidene]propanedinitrile (CID 169337512) is 2-[(2-chloro-4-iodophenyl)hydrazinylidene]propanedinitrile.
What is the SMILES notation for 2-[(2-chloro-4-iodophenyl)hydrazinylidene]propanedinitrile?
The canonical SMILES for 2-[(2-chloro-4-iodophenyl)hydrazinylidene]propanedinitrile is N#CC(C#N)=NNc1ccc(I)cc1Cl.
What is the InChIKey of 2-[(2-chloro-4-iodophenyl)hydrazinylidene]propanedinitrile?
The InChIKey is UDIGYZZJTBGPEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4ClIN4/c10-8-3-6(11)1-2-9(8)15-14-7(4-12)5-13/h1-3,15H.
What are the key properties of 2-[(2-chloro-4-iodophenyl)hydrazinylidene]propanedinitrile?
2-[(2-chloro-4-iodophenyl)hydrazinylidene]propanedinitrile has a molecular weight of 330.52 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-4-iodophenyl)hydrazinylidene]propanedinitrile is sourced from PubChem (CID 169337512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).