2,6-dichlorobenzonitrile

C7H3Cl2N — CID 3031

IUPAC2,6-dichlorobenzonitrile
SMILESN#Cc1c(Cl)cccc1Cl
InChIInChI=1S/C7H3Cl2N/c8-6-2-1-3-7(9)5(6)4-10/h1-3H
InChIKeyYOYAIZYFCNQIRF-UHFFFAOYSA-N
MW172.01 g/mol
LogP2.87
Rot. Bonds

About 2,6-dichlorobenzonitrile

2,6-dichlorobenzonitrile (PubChem CID 3031) has the molecular formula C7H3Cl2N and a molecular weight of 172.01 g/mol. Its IUPAC name is 2,6-dichlorobenzonitrile.

Molecular Properties

Compound Name2,6-dichlorobenzonitrile
PubChem CID3031
Molecular FormulaC7H3Cl2N
Molecular Weight172.01 g/mol
Exact Mass170.96
IUPAC Name2,6-dichlorobenzonitrile
SMILESN#Cc1c(Cl)cccc1Cl
InChIInChI=1S/C7H3Cl2N/c8-6-2-1-3-7(9)5(6)4-10/h1-3H
InChIKeyYOYAIZYFCNQIRF-UHFFFAOYSA-N
XLogP2.87
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.01
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichlorobenzonitrile?
The IUPAC name of 2,6-dichlorobenzonitrile (CID 3031) 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.
What is the InChIKey of 2,6-dichlorobenzonitrile?
The InChIKey is YOYAIZYFCNQIRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3Cl2N/c8-6-2-1-3-7(9)5(6)4-10/h1-3H.
What are the key properties of 2,6-dichlorobenzonitrile?
2,6-dichlorobenzonitrile has a molecular weight of 172.01 g/mol, XLogP of 2.87, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichlorobenzonitrile is sourced from PubChem (CID 3031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).