2,3-dibromo-5,6-dimethoxybenzaldehyde

C9H8Br2O3 — CID 7172125

IUPAC2,3-dibromo-5,6-dimethoxybenzaldehyde
SMILESCOc1cc(Br)c(Br)c(C=O)c1OC
InChIInChI=1S/C9H8Br2O3/c1-13-7-3-6(10)8(11)5(4-12)9(7)14-2/h3-4H,1-2H3
InChIKeyGFJLLEHEPTTYIH-UHFFFAOYSA-N
MW323.97 g/mol
LogP3.04
Rot. Bonds3

About 2,3-dibromo-5,6-dimethoxybenzaldehyde

2,3-dibromo-5,6-dimethoxybenzaldehyde (PubChem CID 7172125) has the molecular formula C9H8Br2O3 and a molecular weight of 323.97 g/mol. Its IUPAC name is 2,3-dibromo-5,6-dimethoxybenzaldehyde.

Molecular Properties

Compound Name2,3-dibromo-5,6-dimethoxybenzaldehyde
PubChem CID7172125
Molecular FormulaC9H8Br2O3
Molecular Weight323.97 g/mol
Exact Mass321.88
IUPAC Name2,3-dibromo-5,6-dimethoxybenzaldehyde
SMILESCOc1cc(Br)c(Br)c(C=O)c1OC
InChIInChI=1S/C9H8Br2O3/c1-13-7-3-6(10)8(11)5(4-12)9(7)14-2/h3-4H,1-2H3
InChIKeyGFJLLEHEPTTYIH-UHFFFAOYSA-N
XLogP3.04
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.97
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,3-dibromo-5-ethoxy-6-methoxybenzaldehyde
CID 17311099
3-bromo-2-methoxy-6-methylsulfanylbenzaldehyde
CID 11265458
2-bromo-6-fluoro-5,7-dimethoxy-1H-indole-3-carbaldehyde
CID 58004725
2-bromo-3,6-dimethoxybenzaldehyde
CID 11356987
2-bromo-3,6-dimethoxy-4,5-dimethylbenzaldehyde
CID 11097704
6-bromo-2-methoxy-3-methyl-4-propan-2-yloxybenzaldehyde
CID 11266173
2-bromo-3,5,6-trimethoxy-4-methylbenzaldehyde
CID 11403516
2,3,5-trimethoxy-6-nitrobenzaldehyde
CID 66545581
3,6-dihydroxy-2,4-dimethoxybenzaldehyde
CID 24879948
2,4-dihydroxy-3,6-dimethoxybenzaldehyde
CID 71365717
4,7-dibromo-5-methoxy-1-benzofuran-2-carbaldehyde
CID 79416402
ethane;3,4,5-trimethoxybenzaldehyde
CID 143400832

Frequently Asked Questions

What is the IUPAC name of 2,3-dibromo-5,6-dimethoxybenzaldehyde?
The IUPAC name of 2,3-dibromo-5,6-dimethoxybenzaldehyde (CID 7172125) is 2,3-dibromo-5,6-dimethoxybenzaldehyde.
What is the SMILES notation for 2,3-dibromo-5,6-dimethoxybenzaldehyde?
The canonical SMILES for 2,3-dibromo-5,6-dimethoxybenzaldehyde is COc1cc(Br)c(Br)c(C=O)c1OC.
What is the InChIKey of 2,3-dibromo-5,6-dimethoxybenzaldehyde?
The InChIKey is GFJLLEHEPTTYIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Br2O3/c1-13-7-3-6(10)8(11)5(4-12)9(7)14-2/h3-4H,1-2H3.
What are the key properties of 2,3-dibromo-5,6-dimethoxybenzaldehyde?
2,3-dibromo-5,6-dimethoxybenzaldehyde has a molecular weight of 323.97 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dibromo-5,6-dimethoxybenzaldehyde is sourced from PubChem (CID 7172125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).