2-bromo-3-hydroxybenzaldehyde

C7H5BrO2 — CID 3714674

IUPAC2-bromo-3-hydroxybenzaldehyde
SMILESO=Cc1cccc(O)c1Br
InChIInChI=1S/C7H5BrO2/c8-7-5(4-9)2-1-3-6(7)10/h1-4,10H
InChIKeyOHXPHMPERMIICA-UHFFFAOYSA-N
MW201.02 g/mol
LogP1.97
Rot. Bonds1

About 2-bromo-3-hydroxybenzaldehyde

2-bromo-3-hydroxybenzaldehyde (PubChem CID 3714674) has the molecular formula C7H5BrO2 and a molecular weight of 201.02 g/mol. Its IUPAC name is 2-bromo-3-hydroxybenzaldehyde.

Molecular Properties

Compound Name2-bromo-3-hydroxybenzaldehyde
PubChem CID3714674
Molecular FormulaC7H5BrO2
Molecular Weight201.02 g/mol
Exact Mass199.95
IUPAC Name2-bromo-3-hydroxybenzaldehyde
SMILESO=Cc1cccc(O)c1Br
InChIInChI=1S/C7H5BrO2/c8-7-5(4-9)2-1-3-6(7)10/h1-4,10H
InChIKeyOHXPHMPERMIICA-UHFFFAOYSA-N
XLogP1.97
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.02
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-hydroxybenzaldehyde?
The IUPAC name of 2-bromo-3-hydroxybenzaldehyde (CID 3714674) is 2-bromo-3-hydroxybenzaldehyde.
What is the SMILES notation for 2-bromo-3-hydroxybenzaldehyde?
The canonical SMILES for 2-bromo-3-hydroxybenzaldehyde is O=Cc1cccc(O)c1Br.
What is the InChIKey of 2-bromo-3-hydroxybenzaldehyde?
The InChIKey is OHXPHMPERMIICA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrO2/c8-7-5(4-9)2-1-3-6(7)10/h1-4,10H.
What are the key properties of 2-bromo-3-hydroxybenzaldehyde?
2-bromo-3-hydroxybenzaldehyde has a molecular weight of 201.02 g/mol, XLogP of 1.97, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-hydroxybenzaldehyde is sourced from PubChem (CID 3714674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).