4,5-dichloro-3-hydrazinylbenzene-1,2-dicarbonitrile

C8H4Cl2N4 — CID 154016896

IUPAC4,5-dichloro-3-hydrazinylbenzene-1,2-dicarbonitrile
SMILESN#Cc1cc(Cl)c(Cl)c(NN)c1C#N
InChIInChI=1S/C8H4Cl2N4/c9-6-1-4(2-11)5(3-12)8(14-13)7(6)10/h1,14H,13H2
InChIKeyJTFIMNXRLSJZNF-UHFFFAOYSA-N
MW227.05 g/mol
LogP2.02
Rot. Bonds1

About 4,5-dichloro-3-hydrazinylbenzene-1,2-dicarbonitrile

4,5-dichloro-3-hydrazinylbenzene-1,2-dicarbonitrile (PubChem CID 154016896) has the molecular formula C8H4Cl2N4 and a molecular weight of 227.05 g/mol. Its IUPAC name is 4,5-dichloro-3-hydrazinylbenzene-1,2-dicarbonitrile.

Molecular Properties

Compound Name4,5-dichloro-3-hydrazinylbenzene-1,2-dicarbonitrile
PubChem CID154016896
Molecular FormulaC8H4Cl2N4
Molecular Weight227.05 g/mol
Exact Mass225.98
IUPAC Name4,5-dichloro-3-hydrazinylbenzene-1,2-dicarbonitrile
SMILESN#Cc1cc(Cl)c(Cl)c(NN)c1C#N
InChIInChI=1S/C8H4Cl2N4/c9-6-1-4(2-11)5(3-12)8(14-13)7(6)10/h1,14H,13H2
InChIKeyJTFIMNXRLSJZNF-UHFFFAOYSA-N
XLogP2.02
TPSA85.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.05
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-3-hydrazinylbenzene-1,2-dicarbonitrile?
The IUPAC name of 4,5-dichloro-3-hydrazinylbenzene-1,2-dicarbonitrile (CID 154016896) is 4,5-dichloro-3-hydrazinylbenzene-1,2-dicarbonitrile.
What is the SMILES notation for 4,5-dichloro-3-hydrazinylbenzene-1,2-dicarbonitrile?
The canonical SMILES for 4,5-dichloro-3-hydrazinylbenzene-1,2-dicarbonitrile is N#Cc1cc(Cl)c(Cl)c(NN)c1C#N.
What is the InChIKey of 4,5-dichloro-3-hydrazinylbenzene-1,2-dicarbonitrile?
The InChIKey is JTFIMNXRLSJZNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Cl2N4/c9-6-1-4(2-11)5(3-12)8(14-13)7(6)10/h1,14H,13H2.
What are the key properties of 4,5-dichloro-3-hydrazinylbenzene-1,2-dicarbonitrile?
4,5-dichloro-3-hydrazinylbenzene-1,2-dicarbonitrile has a molecular weight of 227.05 g/mol, XLogP of 2.02, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-3-hydrazinylbenzene-1,2-dicarbonitrile is sourced from PubChem (CID 154016896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).