2-chloro-6-iodobenzaldehyde

C7H4ClIO — CID 58951891

IUPAC2-chloro-6-iodobenzaldehyde
SMILESO=Cc1c(Cl)cccc1I
InChIInChI=1S/C7H4ClIO/c8-6-2-1-3-7(9)5(6)4-10/h1-4H
InChIKeyNWXVAUFKPOPUAV-UHFFFAOYSA-N
MW266.46 g/mol
LogP2.76
Rot. Bonds1

About 2-chloro-6-iodobenzaldehyde

2-chloro-6-iodobenzaldehyde (PubChem CID 58951891) has the molecular formula C7H4ClIO and a molecular weight of 266.46 g/mol. Its IUPAC name is 2-chloro-6-iodobenzaldehyde.

Molecular Properties

Compound Name2-chloro-6-iodobenzaldehyde
PubChem CID58951891
Molecular FormulaC7H4ClIO
Molecular Weight266.46 g/mol
Exact Mass265.90
IUPAC Name2-chloro-6-iodobenzaldehyde
SMILESO=Cc1c(Cl)cccc1I
InChIInChI=1S/C7H4ClIO/c8-6-2-1-3-7(9)5(6)4-10/h1-4H
InChIKeyNWXVAUFKPOPUAV-UHFFFAOYSA-N
XLogP2.76
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.46
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,6-dichlorobenzaldehyde;ethane
CID 90823593
2-(aminomethyl)-6-chlorobenzaldehyde
CID 174425171
4-chloro-2-iodo-1-benzothiophene-3-carbaldehyde
CID 131014353
1-chloro-2-(2-chloro-6-iodophenyl)-3-iodobenzene
CID 86037310
2,6-dichlorobenzaldehyde;4-methylbenzaldehyde
CID 19356894
3-(3-chloro-2-formylphenyl)prop-2-enoic acid
CID 169460426
2-chloro-6-phenoxybenzaldehyde
CID 18663602
2-chloro-6-iodobenzenethiol
CID 91874122
2-chloro-6-(2,3,5-trichlorophenyl)benzaldehyde
CID 134622694
2-bromo-7-iodo-1-benzothiophene-3-carbaldehyde
CID 130885028
2,6-dichlorobenzaldehyde;2-(2,6-dichlorophenyl)-2-hydroxyacetamide
CID 158457081
4-(3-chloro-2-formylphenyl)piperazine-1-carbaldehyde
CID 122470945

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-iodobenzaldehyde?
The IUPAC name of 2-chloro-6-iodobenzaldehyde (CID 58951891) is 2-chloro-6-iodobenzaldehyde.
What is the SMILES notation for 2-chloro-6-iodobenzaldehyde?
The canonical SMILES for 2-chloro-6-iodobenzaldehyde is O=Cc1c(Cl)cccc1I.
What is the InChIKey of 2-chloro-6-iodobenzaldehyde?
The InChIKey is NWXVAUFKPOPUAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClIO/c8-6-2-1-3-7(9)5(6)4-10/h1-4H.
What are the key properties of 2-chloro-6-iodobenzaldehyde?
2-chloro-6-iodobenzaldehyde has a molecular weight of 266.46 g/mol, XLogP of 2.76, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-iodobenzaldehyde is sourced from PubChem (CID 58951891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).