2,6-dichlorobenzaldehyde

C7H4Cl2O — CID 6737

IUPAC2,6-dichlorobenzaldehyde
SMILESO=Cc1c(Cl)cccc1Cl
InChIInChI=1S/C7H4Cl2O/c8-6-2-1-3-7(9)5(6)4-10/h1-4H
InChIKeyDMIYKWPEFRFTPY-UHFFFAOYSA-N
MW175.01 g/mol
LogP2.81
Rot. Bonds1

About 2,6-dichlorobenzaldehyde

2,6-dichlorobenzaldehyde (PubChem CID 6737) has the molecular formula C7H4Cl2O and a molecular weight of 175.01 g/mol. Its IUPAC name is 2,6-dichlorobenzaldehyde.

Molecular Properties

Compound Name2,6-dichlorobenzaldehyde
PubChem CID6737
Molecular FormulaC7H4Cl2O
Molecular Weight175.01 g/mol
Exact Mass173.96
IUPAC Name2,6-dichlorobenzaldehyde
SMILESO=Cc1c(Cl)cccc1Cl
InChIInChI=1S/C7H4Cl2O/c8-6-2-1-3-7(9)5(6)4-10/h1-4H
InChIKeyDMIYKWPEFRFTPY-UHFFFAOYSA-N
XLogP2.81
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.01
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

4-Chlorobenzaldehyde
CID 7726
2-Chlorobenzaldehyde
CID 6996
Ethanone, 1-(2-chlorophenyl)-
CID 72864
3-Chlorobenzaldehyde
CID 11477
2,2',4'-Trichloroacetophenone
CID 20250
2,4-Dichlorobenzoyl chloride
CID 66645
2-Chlorobenzoyl chloride
CID 69110
2,4-Dichlorobenzaldehyde
CID 13404
2,6-Dichlorobenzoyl chloride
CID 78392
2',4'-Dichloroacetophenone
CID 16693
2-Chloro-6-fluorobenzaldehyde
CID 67847
2,3-Dichlorobenzaldehyde
CID 35745

Frequently Asked Questions

What is the IUPAC name of 2,6-dichlorobenzaldehyde?
The IUPAC name of 2,6-dichlorobenzaldehyde (CID 6737) is 2,6-dichlorobenzaldehyde.
What is the SMILES notation for 2,6-dichlorobenzaldehyde?
The canonical SMILES for 2,6-dichlorobenzaldehyde is O=Cc1c(Cl)cccc1Cl.
What is the InChIKey of 2,6-dichlorobenzaldehyde?
The InChIKey is DMIYKWPEFRFTPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Cl2O/c8-6-2-1-3-7(9)5(6)4-10/h1-4H.
What are the key properties of 2,6-dichlorobenzaldehyde?
2,6-dichlorobenzaldehyde has a molecular weight of 175.01 g/mol, XLogP of 2.81, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichlorobenzaldehyde is sourced from PubChem (CID 6737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).