2-[(4,5-dichloro-2-cyanophenyl)hydrazinylidene]propanedinitrile

C10H3Cl2N5 — CID 169341494

IUPAC2-[(4,5-dichloro-2-cyanophenyl)hydrazinylidene]propanedinitrile
SMILESN#CC(C#N)=NNc1cc(Cl)c(Cl)cc1C#N
InChIInChI=1S/C10H3Cl2N5/c11-8-1-6(3-13)10(2-9(8)12)17-16-7(4-14)5-15/h1-2,17H
InChIKeyNKKHMHXQPAISQX-UHFFFAOYSA-N
MW264.07 g/mol
LogP2.68
Rot. Bonds2

About 2-[(4,5-dichloro-2-cyanophenyl)hydrazinylidene]propanedinitrile

2-[(4,5-dichloro-2-cyanophenyl)hydrazinylidene]propanedinitrile (PubChem CID 169341494) has the molecular formula C10H3Cl2N5 and a molecular weight of 264.07 g/mol. Its IUPAC name is 2-[(4,5-dichloro-2-cyanophenyl)hydrazinylidene]propanedinitrile.

Molecular Properties

Compound Name2-[(4,5-dichloro-2-cyanophenyl)hydrazinylidene]propanedinitrile
PubChem CID169341494
Molecular FormulaC10H3Cl2N5
Molecular Weight264.07 g/mol
Exact Mass262.98
IUPAC Name2-[(4,5-dichloro-2-cyanophenyl)hydrazinylidene]propanedinitrile
SMILESN#CC(C#N)=NNc1cc(Cl)c(Cl)cc1C#N
InChIInChI=1S/C10H3Cl2N5/c11-8-1-6(3-13)10(2-9(8)12)17-16-7(4-14)5-15/h1-2,17H
InChIKeyNKKHMHXQPAISQX-UHFFFAOYSA-N
XLogP2.68
TPSA95.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.07
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-chloro-4-iodophenyl)hydrazinylidene]propanedinitrile
CID 169337512
2-[(3-bromo-2,4-dichlorophenyl)hydrazinylidene]propanedinitrile
CID 169341444
2-[(2,6-dichloro-4-cyanophenyl)hydrazinylidene]propanedinitrile
CID 3049422
2-[(4-chloro-2-sulfanylphenyl)hydrazinylidene]propanedinitrile
CID 169340826
2-[(5-chloro-4-methyl-2-nitrophenyl)hydrazinylidene]propanedinitrile
CID 169337608
2-[(2-chloro-5-methoxyphenyl)hydrazinylidene]propanedinitrile
CID 169337574
2-[[2-chloro-5-(pyrrolidine-1-carbonyl)phenyl]hydrazinylidene]propanedinitrile
CID 169339282
4-[2-(dicyanomethylidene)hydrazinyl]benzene-1,2-dicarbonitrile
CID 169337793
2-[[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]hydrazinylidene]propanedinitrile
CID 169341832
2-[(5-chloro-8-hydroxyquinolin-7-yl)hydrazinylidene]propanedinitrile
CID 169339177
2-[(2-chloro-5-pyrrol-1-ylphenyl)hydrazinylidene]propanedinitrile
CID 169340013
2-[(3-bromo-2-chloro-5-fluorophenyl)hydrazinylidene]propanedinitrile
CID 169341390

Frequently Asked Questions

What is the IUPAC name of 2-[(4,5-dichloro-2-cyanophenyl)hydrazinylidene]propanedinitrile?
The IUPAC name of 2-[(4,5-dichloro-2-cyanophenyl)hydrazinylidene]propanedinitrile (CID 169341494) is 2-[(4,5-dichloro-2-cyanophenyl)hydrazinylidene]propanedinitrile.
What is the SMILES notation for 2-[(4,5-dichloro-2-cyanophenyl)hydrazinylidene]propanedinitrile?
The canonical SMILES for 2-[(4,5-dichloro-2-cyanophenyl)hydrazinylidene]propanedinitrile is N#CC(C#N)=NNc1cc(Cl)c(Cl)cc1C#N.
What is the InChIKey of 2-[(4,5-dichloro-2-cyanophenyl)hydrazinylidene]propanedinitrile?
The InChIKey is NKKHMHXQPAISQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H3Cl2N5/c11-8-1-6(3-13)10(2-9(8)12)17-16-7(4-14)5-15/h1-2,17H.
What are the key properties of 2-[(4,5-dichloro-2-cyanophenyl)hydrazinylidene]propanedinitrile?
2-[(4,5-dichloro-2-cyanophenyl)hydrazinylidene]propanedinitrile has a molecular weight of 264.07 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,5-dichloro-2-cyanophenyl)hydrazinylidene]propanedinitrile is sourced from PubChem (CID 169341494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).