2,3-dibromo-6-hydroxy-5-methoxybenzaldehyde

C8H6Br2O3 — CID 5039109

IUPAC2,3-dibromo-6-hydroxy-5-methoxybenzaldehyde
SMILESCOc1cc(Br)c(Br)c(C=O)c1O
InChIInChI=1S/C8H6Br2O3/c1-13-6-2-5(9)7(10)4(3-11)8(6)12/h2-3,12H,1H3
InChIKeyNEQRDPRMCZPVJM-UHFFFAOYSA-N
MW309.94 g/mol
LogP2.74
Rot. Bonds2

About 2,3-dibromo-6-hydroxy-5-methoxybenzaldehyde

2,3-dibromo-6-hydroxy-5-methoxybenzaldehyde (PubChem CID 5039109) has the molecular formula C8H6Br2O3 and a molecular weight of 309.94 g/mol. Its IUPAC name is 2,3-dibromo-6-hydroxy-5-methoxybenzaldehyde.

Molecular Properties

Compound Name2,3-dibromo-6-hydroxy-5-methoxybenzaldehyde
PubChem CID5039109
Molecular FormulaC8H6Br2O3
Molecular Weight309.94 g/mol
Exact Mass307.87
IUPAC Name2,3-dibromo-6-hydroxy-5-methoxybenzaldehyde
SMILESCOc1cc(Br)c(Br)c(C=O)c1O
InChIInChI=1S/C8H6Br2O3/c1-13-6-2-5(9)7(10)4(3-11)8(6)12/h2-3,12H,1H3
InChIKeyNEQRDPRMCZPVJM-UHFFFAOYSA-N
XLogP2.74
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.94
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-Bromovanillin
CID 18099
5-Bromo-2-hydroxy-3-methoxybenzaldehyde
CID 262238
2-Bromo-5-hydroxy-4-methoxybenzaldehyde
CID 616068
6-Bromo-2-hydroxy-3-methoxybenzaldehyde
CID 262237
2-Bromoisovanillin
CID 224011
2,3-Dibromo-4-hydroxy-5-methoxybenzaldehyde
CID 520452
5-Bromo-2,3-dimethoxybenzaldehyde
CID 322405
Vanillin, 6-bromo-
CID 43376
2,3-Dibromo-5-ethoxy-6-hydroxybenzaldehyde
CID 790680
(E)-3-(5-bromo-2,3-dimethoxy-phenyl)-1-(2-hydroxyphenyl)prop-2-en-1-one
CID 71734926
5-Bromo-2,3-dihydroxy-6-methoxybenzaldehyde
CID 25033523
2-Acetoxy-3methoxy-6bromo-benzaldehyde
CID 10192904

Frequently Asked Questions

What is the IUPAC name of 2,3-dibromo-6-hydroxy-5-methoxybenzaldehyde?
The IUPAC name of 2,3-dibromo-6-hydroxy-5-methoxybenzaldehyde (CID 5039109) is 2,3-dibromo-6-hydroxy-5-methoxybenzaldehyde.
What is the SMILES notation for 2,3-dibromo-6-hydroxy-5-methoxybenzaldehyde?
The canonical SMILES for 2,3-dibromo-6-hydroxy-5-methoxybenzaldehyde is COc1cc(Br)c(Br)c(C=O)c1O.
What is the InChIKey of 2,3-dibromo-6-hydroxy-5-methoxybenzaldehyde?
The InChIKey is NEQRDPRMCZPVJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Br2O3/c1-13-6-2-5(9)7(10)4(3-11)8(6)12/h2-3,12H,1H3.
What are the key properties of 2,3-dibromo-6-hydroxy-5-methoxybenzaldehyde?
2,3-dibromo-6-hydroxy-5-methoxybenzaldehyde has a molecular weight of 309.94 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dibromo-6-hydroxy-5-methoxybenzaldehyde is sourced from PubChem (CID 5039109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).