2-bromo-3,6-dimethoxybenzaldehyde

C9H9BrO3 — CID 11356987

IUPAC2-bromo-3,6-dimethoxybenzaldehyde
SMILESCOc1ccc(OC)c(C=O)c1Br
InChIInChI=1S/C9H9BrO3/c1-12-7-3-4-8(13-2)9(10)6(7)5-11/h3-5H,1-2H3
InChIKeyDVXQFFXHEVVPIS-UHFFFAOYSA-N
MW245.07 g/mol
LogP2.28
Rot. Bonds3

About 2-bromo-3,6-dimethoxybenzaldehyde

2-bromo-3,6-dimethoxybenzaldehyde (PubChem CID 11356987) has the molecular formula C9H9BrO3 and a molecular weight of 245.07 g/mol. Its IUPAC name is 2-bromo-3,6-dimethoxybenzaldehyde.

Molecular Properties

Compound Name2-bromo-3,6-dimethoxybenzaldehyde
PubChem CID11356987
Molecular FormulaC9H9BrO3
Molecular Weight245.07 g/mol
Exact Mass243.97
IUPAC Name2-bromo-3,6-dimethoxybenzaldehyde
SMILESCOc1ccc(OC)c(C=O)c1Br
InChIInChI=1S/C9H9BrO3/c1-12-7-3-4-8(13-2)9(10)6(7)5-11/h3-5H,1-2H3
InChIKeyDVXQFFXHEVVPIS-UHFFFAOYSA-N
XLogP2.28
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.07
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-bromo-3,6-dimethoxybenzaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-acetyl-2-bromo-6-methoxybenzaldehyde
CID 171009224
2-acetyl-3-bromo-6-methoxybenzaldehyde
CID 171009062
2,4-dimethoxybenzene-1,3-dicarbaldehyde
CID 11615337
3-chloro-2,6-dimethoxybenzaldehyde
CID 15414486
3,6-dimethoxy-2-(methoxymethyl)benzaldehyde
CID 10512624
2,3-dibromo-5,6-dimethoxybenzaldehyde
CID 7172125
3-(2-bromo-3,6-dimethoxyphenyl)propanal
CID 117435067
4-bromo-5-methoxy-1-benzothiophene-3-carbaldehyde
CID 130793746
(3-bromo-2-formyl-6-methoxyphenyl) acetate
CID 10192904
3,4-bis(4-bromophenyl)-2,7-dimethoxynaphthalene-1,8-dicarbaldehyde
CID 91174608
4-(3-bromo-2,4-dimethoxyphenyl)-6-chloropyrimidine-5-carbaldehyde
CID 103523979
6-chloro-2,3-dimethoxybenzaldehyde
CID 19389247

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3,6-dimethoxybenzaldehyde?
The IUPAC name of 2-bromo-3,6-dimethoxybenzaldehyde (CID 11356987) is 2-bromo-3,6-dimethoxybenzaldehyde.
What is the SMILES notation for 2-bromo-3,6-dimethoxybenzaldehyde?
The canonical SMILES for 2-bromo-3,6-dimethoxybenzaldehyde is COc1ccc(OC)c(C=O)c1Br.
What is the InChIKey of 2-bromo-3,6-dimethoxybenzaldehyde?
The InChIKey is DVXQFFXHEVVPIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrO3/c1-12-7-3-4-8(13-2)9(10)6(7)5-11/h3-5H,1-2H3.
What are the key properties of 2-bromo-3,6-dimethoxybenzaldehyde?
2-bromo-3,6-dimethoxybenzaldehyde has a molecular weight of 245.07 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3,6-dimethoxybenzaldehyde is sourced from PubChem (CID 11356987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).