2,4-dibromo-6-methylbenzaldehyde

C8H6Br2O — CID 102195216

IUPAC2,4-dibromo-6-methylbenzaldehyde
SMILESCc1cc(Br)cc(Br)c1C=O
InChIInChI=1S/C8H6Br2O/c1-5-2-6(9)3-8(10)7(5)4-11/h2-4H,1H3
InChIKeyXLZRSETWCJMHGI-UHFFFAOYSA-N
MW277.94 g/mol
LogP3.33
Rot. Bonds1

About 2,4-dibromo-6-methylbenzaldehyde

2,4-dibromo-6-methylbenzaldehyde (PubChem CID 102195216) has the molecular formula C8H6Br2O and a molecular weight of 277.94 g/mol. Its IUPAC name is 2,4-dibromo-6-methylbenzaldehyde.

Molecular Properties

Compound Name2,4-dibromo-6-methylbenzaldehyde
PubChem CID102195216
Molecular FormulaC8H6Br2O
Molecular Weight277.94 g/mol
Exact Mass275.88
IUPAC Name2,4-dibromo-6-methylbenzaldehyde
SMILESCc1cc(Br)cc(Br)c1C=O
InChIInChI=1S/C8H6Br2O/c1-5-2-6(9)3-8(10)7(5)4-11/h2-4H,1H3
InChIKeyXLZRSETWCJMHGI-UHFFFAOYSA-N
XLogP3.33
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.94
LogP ≤ 53.33
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

2,6-dibromo-4-methylbenzaldehyde;1,3-dibromo-5-methylbenzene
CID 162025130
N-(2,4-dibromo-6-methylphenyl)formamide
CID 168652451
2-bromo-6-chloro-4-methylbenzaldehyde
CID 131261147
3-bromo-5-chloro-2,6-dimethylbenzaldehyde
CID 84737534
2,4-dibromo-6-methylbenzenesulfonyl chloride
CID 91678308
5-bromo-2-hydroxy-3-methylbenzaldehyde
CID 2757016
3-bromo-2-hydroxy-4,6-dimethylbenzaldehyde
CID 84692353
2-amino-6-bromo-4-methylbenzaldehyde
CID 131099846
(4-bromo-2,6-dimethylphenyl) methanesulfonate
CID 88867193
3-(3-formyl-2,4,6-trimethylphenyl)-2,4,6-trimethylbenzaldehyde
CID 14915371
2,4-dibromo-6-methylaniline;dihydrobromide
CID 175177436
4-amino-6-bromo-3-fluoro-2-methylbenzaldehyde
CID 174180039

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-6-methylbenzaldehyde?
The IUPAC name of 2,4-dibromo-6-methylbenzaldehyde (CID 102195216) is 2,4-dibromo-6-methylbenzaldehyde.
What is the SMILES notation for 2,4-dibromo-6-methylbenzaldehyde?
The canonical SMILES for 2,4-dibromo-6-methylbenzaldehyde is Cc1cc(Br)cc(Br)c1C=O.
What is the InChIKey of 2,4-dibromo-6-methylbenzaldehyde?
The InChIKey is XLZRSETWCJMHGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Br2O/c1-5-2-6(9)3-8(10)7(5)4-11/h2-4H,1H3.
What are the key properties of 2,4-dibromo-6-methylbenzaldehyde?
2,4-dibromo-6-methylbenzaldehyde has a molecular weight of 277.94 g/mol, XLogP of 3.33, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-6-methylbenzaldehyde is sourced from PubChem (CID 102195216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).