1-N,2-N-dichlorocyclohexa-3,5-diene-1,2-diimine

C6H4Cl2N2 — CID 6512428

IUPAC1-N,2-N-dichlorocyclohexa-3,5-diene-1,2-diimine
SMILESCl/N=C1/C=CC=C/C1=N/Cl
InChIInChI=1S/C6H4Cl2N2/c7-9-5-3-1-2-4-6(5)10-8/h1-4H/b9-5-,10-6-
InChIKeyRPGWWMBMIIJENL-OZDSWYPASA-N
MW175.02 g/mol
LogP2.30
Rot. Bonds

About 1-N,2-N-dichlorocyclohexa-3,5-diene-1,2-diimine

1-N,2-N-dichlorocyclohexa-3,5-diene-1,2-diimine (PubChem CID 6512428) has the molecular formula C6H4Cl2N2 and a molecular weight of 175.02 g/mol. Its IUPAC name is 1-N,2-N-dichlorocyclohexa-3,5-diene-1,2-diimine.

Molecular Properties

Compound Name1-N,2-N-dichlorocyclohexa-3,5-diene-1,2-diimine
PubChem CID6512428
Molecular FormulaC6H4Cl2N2
Molecular Weight175.02 g/mol
Exact Mass173.98
IUPAC Name1-N,2-N-dichlorocyclohexa-3,5-diene-1,2-diimine
SMILESCl/N=C1/C=CC=C/C1=N/Cl
InChIInChI=1S/C6H4Cl2N2/c7-9-5-3-1-2-4-6(5)10-8/h1-4H/b9-5-,10-6-
InChIKeyRPGWWMBMIIJENL-OZDSWYPASA-N
XLogP2.30
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.02
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'chinone_2', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-N,2-N-dichlorocyclohexa-3,5-diene-1,2-diimine?
The IUPAC name of 1-N,2-N-dichlorocyclohexa-3,5-diene-1,2-diimine (CID 6512428) is 1-N,2-N-dichlorocyclohexa-3,5-diene-1,2-diimine.
What is the SMILES notation for 1-N,2-N-dichlorocyclohexa-3,5-diene-1,2-diimine?
The canonical SMILES for 1-N,2-N-dichlorocyclohexa-3,5-diene-1,2-diimine is Cl/N=C1/C=CC=C/C1=N/Cl.
What is the InChIKey of 1-N,2-N-dichlorocyclohexa-3,5-diene-1,2-diimine?
The InChIKey is RPGWWMBMIIJENL-OZDSWYPASA-N. The full InChI is InChI=1S/C6H4Cl2N2/c7-9-5-3-1-2-4-6(5)10-8/h1-4H/b9-5-,10-6-.
What are the key properties of 1-N,2-N-dichlorocyclohexa-3,5-diene-1,2-diimine?
1-N,2-N-dichlorocyclohexa-3,5-diene-1,2-diimine has a molecular weight of 175.02 g/mol, XLogP of 2.30, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N-dichlorocyclohexa-3,5-diene-1,2-diimine is sourced from PubChem (CID 6512428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).