6-bromo-2,3-dihydroxybenzaldehyde

C7H5BrO3 — CID 818049

IUPAC6-bromo-2,3-dihydroxybenzaldehyde
SMILESO=Cc1c(Br)ccc(O)c1O
InChIInChI=1S/C7H5BrO3/c8-5-1-2-6(10)7(11)4(5)3-9/h1-3,10-11H
InChIKeyPCSTWUHSLBALGP-UHFFFAOYSA-N
MW217.02 g/mol
LogP1.67
Rot. Bonds1

About 6-bromo-2,3-dihydroxybenzaldehyde

6-bromo-2,3-dihydroxybenzaldehyde (PubChem CID 818049) has the molecular formula C7H5BrO3 and a molecular weight of 217.02 g/mol. Its IUPAC name is 6-bromo-2,3-dihydroxybenzaldehyde.

Molecular Properties

Compound Name6-bromo-2,3-dihydroxybenzaldehyde
PubChem CID818049
Molecular FormulaC7H5BrO3
Molecular Weight217.02 g/mol
Exact Mass215.94
IUPAC Name6-bromo-2,3-dihydroxybenzaldehyde
SMILESO=Cc1c(Br)ccc(O)c1O
InChIInChI=1S/C7H5BrO3/c8-5-1-2-6(10)7(11)4(5)3-9/h1-3,10-11H
InChIKeyPCSTWUHSLBALGP-UHFFFAOYSA-N
XLogP1.67
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.02
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2,3-dihydroxybenzaldehyde?
The IUPAC name of 6-bromo-2,3-dihydroxybenzaldehyde (CID 818049) is 6-bromo-2,3-dihydroxybenzaldehyde.
What is the SMILES notation for 6-bromo-2,3-dihydroxybenzaldehyde?
The canonical SMILES for 6-bromo-2,3-dihydroxybenzaldehyde is O=Cc1c(Br)ccc(O)c1O.
What is the InChIKey of 6-bromo-2,3-dihydroxybenzaldehyde?
The InChIKey is PCSTWUHSLBALGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrO3/c8-5-1-2-6(10)7(11)4(5)3-9/h1-3,10-11H.
What are the key properties of 6-bromo-2,3-dihydroxybenzaldehyde?
6-bromo-2,3-dihydroxybenzaldehyde has a molecular weight of 217.02 g/mol, XLogP of 1.67, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2,3-dihydroxybenzaldehyde is sourced from PubChem (CID 818049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).