2,6-dichlorobenzonitrile

C14H6Cl4N2 — CID 22226138

IUPAC2,6-dichlorobenzonitrile
SMILESN#Cc1c(Cl)cccc1Cl.N#Cc1c(Cl)cccc1Cl
InChIInChI=1S/2C7H3Cl2N/c2*8-6-2-1-3-7(9)5(6)4-10/h2*1-3H
InChIKeyWBJJBRRNIRLWFK-UHFFFAOYSA-N
MW344.03 g/mol
LogP5.73
Rot. Bonds

About 2,6-dichlorobenzonitrile

2,6-dichlorobenzonitrile (PubChem CID 22226138) has the molecular formula C14H6Cl4N2 and a molecular weight of 344.03 g/mol. Its IUPAC name is 2,6-dichlorobenzonitrile.

Molecular Properties

Compound Name2,6-dichlorobenzonitrile
PubChem CID22226138
Molecular FormulaC14H6Cl4N2
Molecular Weight344.03 g/mol
Exact Mass341.93
IUPAC Name2,6-dichlorobenzonitrile
SMILESN#Cc1c(Cl)cccc1Cl.N#Cc1c(Cl)cccc1Cl
InChIInChI=1S/2C7H3Cl2N/c2*8-6-2-1-3-7(9)5(6)4-10/h2*1-3H
InChIKeyWBJJBRRNIRLWFK-UHFFFAOYSA-N
XLogP5.73
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.03
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichlorobenzonitrile?
The IUPAC name of 2,6-dichlorobenzonitrile (CID 22226138) is 2,6-dichlorobenzonitrile.
What is the SMILES notation for 2,6-dichlorobenzonitrile?
The canonical SMILES for 2,6-dichlorobenzonitrile is N#Cc1c(Cl)cccc1Cl.N#Cc1c(Cl)cccc1Cl.
What is the InChIKey of 2,6-dichlorobenzonitrile?
The InChIKey is WBJJBRRNIRLWFK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H3Cl2N/c2*8-6-2-1-3-7(9)5(6)4-10/h2*1-3H.
What are the key properties of 2,6-dichlorobenzonitrile?
2,6-dichlorobenzonitrile has a molecular weight of 344.03 g/mol, XLogP of 5.73, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichlorobenzonitrile is sourced from PubChem (CID 22226138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).