2,5-dichlorobenzene-1,3-dicarbonitrile

C8H2Cl2N2 — CID 22222968

IUPAC2,5-dichlorobenzene-1,3-dicarbonitrile
SMILESN#Cc1cc(Cl)cc(C#N)c1Cl
InChIInChI=1S/C8H2Cl2N2/c9-7-1-5(3-11)8(10)6(2-7)4-12/h1-2H
InChIKeyCNHBUKOQNKTNEU-UHFFFAOYSA-N
MW197.02 g/mol
LogP2.74
Rot. Bonds

About 2,5-dichlorobenzene-1,3-dicarbonitrile

2,5-dichlorobenzene-1,3-dicarbonitrile (PubChem CID 22222968) has the molecular formula C8H2Cl2N2 and a molecular weight of 197.02 g/mol. Its IUPAC name is 2,5-dichlorobenzene-1,3-dicarbonitrile.

Molecular Properties

Compound Name2,5-dichlorobenzene-1,3-dicarbonitrile
PubChem CID22222968
Molecular FormulaC8H2Cl2N2
Molecular Weight197.02 g/mol
Exact Mass195.96
IUPAC Name2,5-dichlorobenzene-1,3-dicarbonitrile
SMILESN#Cc1cc(Cl)cc(C#N)c1Cl
InChIInChI=1S/C8H2Cl2N2/c9-7-1-5(3-11)8(10)6(2-7)4-12/h1-2H
InChIKeyCNHBUKOQNKTNEU-UHFFFAOYSA-N
XLogP2.74
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.02
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichlorobenzene-1,3-dicarbonitrile?
The IUPAC name of 2,5-dichlorobenzene-1,3-dicarbonitrile (CID 22222968) is 2,5-dichlorobenzene-1,3-dicarbonitrile.
What is the SMILES notation for 2,5-dichlorobenzene-1,3-dicarbonitrile?
The canonical SMILES for 2,5-dichlorobenzene-1,3-dicarbonitrile is N#Cc1cc(Cl)cc(C#N)c1Cl.
What is the InChIKey of 2,5-dichlorobenzene-1,3-dicarbonitrile?
The InChIKey is CNHBUKOQNKTNEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H2Cl2N2/c9-7-1-5(3-11)8(10)6(2-7)4-12/h1-2H.
What are the key properties of 2,5-dichlorobenzene-1,3-dicarbonitrile?
2,5-dichlorobenzene-1,3-dicarbonitrile has a molecular weight of 197.02 g/mol, XLogP of 2.74, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichlorobenzene-1,3-dicarbonitrile is sourced from PubChem (CID 22222968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).