benzene-1,2-dicarbonitrile;dihydrochloride

C8H6Cl2N2 — CID 66675666

IUPACbenzene-1,2-dicarbonitrile;dihydrochloride
SMILESCl.Cl.N#Cc1ccccc1C#N
InChIInChI=1S/C8H4N2.2ClH/c9-5-7-3-1-2-4-8(7)6-10;;/h1-4H;2*1H
InChIKeyOABYYMFQSIKVLA-UHFFFAOYSA-N
MW201.06 g/mol
LogP2.27
Rot. Bonds

About benzene-1,2-dicarbonitrile;dihydrochloride

benzene-1,2-dicarbonitrile;dihydrochloride (PubChem CID 66675666) has the molecular formula C8H6Cl2N2 and a molecular weight of 201.06 g/mol. Its IUPAC name is benzene-1,2-dicarbonitrile;dihydrochloride.

Molecular Properties

Compound Namebenzene-1,2-dicarbonitrile;dihydrochloride
PubChem CID66675666
Molecular FormulaC8H6Cl2N2
Molecular Weight201.06 g/mol
Exact Mass199.99
IUPAC Namebenzene-1,2-dicarbonitrile;dihydrochloride
SMILESCl.Cl.N#Cc1ccccc1C#N
InChIInChI=1S/C8H4N2.2ClH/c9-5-7-3-1-2-4-8(7)6-10;;/h1-4H;2*1H
InChIKeyOABYYMFQSIKVLA-UHFFFAOYSA-N
XLogP2.27
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.06
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of benzene-1,2-dicarbonitrile;dihydrochloride?
The IUPAC name of benzene-1,2-dicarbonitrile;dihydrochloride (CID 66675666) is benzene-1,2-dicarbonitrile;dihydrochloride.
What is the SMILES notation for benzene-1,2-dicarbonitrile;dihydrochloride?
The canonical SMILES for benzene-1,2-dicarbonitrile;dihydrochloride is Cl.Cl.N#Cc1ccccc1C#N.
What is the InChIKey of benzene-1,2-dicarbonitrile;dihydrochloride?
The InChIKey is OABYYMFQSIKVLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4N2.2ClH/c9-5-7-3-1-2-4-8(7)6-10;;/h1-4H;2*1H.
What are the key properties of benzene-1,2-dicarbonitrile;dihydrochloride?
benzene-1,2-dicarbonitrile;dihydrochloride has a molecular weight of 201.06 g/mol, XLogP of 2.27, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,2-dicarbonitrile;dihydrochloride is sourced from PubChem (CID 66675666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).