4-bromo-3-hydroxybenzaldehyde

C7H5BrO2 — CID 14759395

IUPAC4-bromo-3-hydroxybenzaldehyde
SMILESO=Cc1ccc(Br)c(O)c1
InChIInChI=1S/C7H5BrO2/c8-6-2-1-5(4-9)3-7(6)10/h1-4,10H
InChIKeyUSCBCBWUZOPHNV-UHFFFAOYSA-N
MW201.02 g/mol
LogP1.97
Rot. Bonds1

About 4-bromo-3-hydroxybenzaldehyde

4-bromo-3-hydroxybenzaldehyde (PubChem CID 14759395) has the molecular formula C7H5BrO2 and a molecular weight of 201.02 g/mol. Its IUPAC name is 4-bromo-3-hydroxybenzaldehyde.

Molecular Properties

Compound Name4-bromo-3-hydroxybenzaldehyde
PubChem CID14759395
Molecular FormulaC7H5BrO2
Molecular Weight201.02 g/mol
Exact Mass199.95
IUPAC Name4-bromo-3-hydroxybenzaldehyde
SMILESO=Cc1ccc(Br)c(O)c1
InChIInChI=1S/C7H5BrO2/c8-6-2-1-5(4-9)3-7(6)10/h1-4,10H
InChIKeyUSCBCBWUZOPHNV-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 4-bromo-3-hydroxybenzaldehyde?
The IUPAC name of 4-bromo-3-hydroxybenzaldehyde (CID 14759395) is 4-bromo-3-hydroxybenzaldehyde.
What is the SMILES notation for 4-bromo-3-hydroxybenzaldehyde?
The canonical SMILES for 4-bromo-3-hydroxybenzaldehyde is O=Cc1ccc(Br)c(O)c1.
What is the InChIKey of 4-bromo-3-hydroxybenzaldehyde?
The InChIKey is USCBCBWUZOPHNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrO2/c8-6-2-1-5(4-9)3-7(6)10/h1-4,10H.
What are the key properties of 4-bromo-3-hydroxybenzaldehyde?
4-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 4-bromo-3-hydroxybenzaldehyde is sourced from PubChem (CID 14759395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).