5-bromo-3-(bromomethyl)-2-hydroxybenzaldehyde

C8H6Br2O2 — CID 71413041

IUPAC5-bromo-3-(bromomethyl)-2-hydroxybenzaldehyde
SMILESO=Cc1cc(Br)cc(CBr)c1O
InChIInChI=1S/C8H6Br2O2/c9-3-5-1-7(10)2-6(4-11)8(5)12/h1-2,4,12H,3H2
InChIKeyOWSJYFRWCDVPKJ-UHFFFAOYSA-N
MW293.94 g/mol
LogP2.86
Rot. Bonds2

About 5-bromo-3-(bromomethyl)-2-hydroxybenzaldehyde

5-bromo-3-(bromomethyl)-2-hydroxybenzaldehyde (PubChem CID 71413041) has the molecular formula C8H6Br2O2 and a molecular weight of 293.94 g/mol. Its IUPAC name is 5-bromo-3-(bromomethyl)-2-hydroxybenzaldehyde.

Molecular Properties

Compound Name5-bromo-3-(bromomethyl)-2-hydroxybenzaldehyde
PubChem CID71413041
Molecular FormulaC8H6Br2O2
Molecular Weight293.94 g/mol
Exact Mass291.87
IUPAC Name5-bromo-3-(bromomethyl)-2-hydroxybenzaldehyde
SMILESO=Cc1cc(Br)cc(CBr)c1O
InChIInChI=1S/C8H6Br2O2/c9-3-5-1-7(10)2-6(4-11)8(5)12/h1-2,4,12H,3H2
InChIKeyOWSJYFRWCDVPKJ-UHFFFAOYSA-N
XLogP2.86
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.94
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-hydroxy-3-methylbenzaldehyde
CID 2757016
5-bromo-2-hydroxy-3-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-ylmethyl)benzaldehyde
CID 100998969
CID 158588241
CID 158588241
5-bromo-3-chloro-2-hydroxybenzaldehyde;3-chloro-2-hydroxybenzaldehyde
CID 164964246
3-ethyl-2-hydroxy-5-methylbenzaldehyde
CID 123167289
3-(3-bromo-5-formyl-4-hydroxyphenyl)-2-methylpropanoic acid
CID 87741890
2-(5-bromo-2-hydroxy-3-methylphenyl)acetaldehyde
CID 83893529
2,4,6-tris(bromomethyl)phenol
CID 155202346
5-bromo-3-chloro-2,4-dihydroxybenzaldehyde
CID 14832396
5-bromo-3,4-difluoro-2-hydroxybenzaldehyde
CID 53485944
2-hydroxy-3,5-bis(prop-2-enyl)benzaldehyde
CID 25137677
4-bromo-7-(bromomethyl)-1-benzothiophene-5-carbaldehyde
CID 130925488

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(bromomethyl)-2-hydroxybenzaldehyde?
The IUPAC name of 5-bromo-3-(bromomethyl)-2-hydroxybenzaldehyde (CID 71413041) is 5-bromo-3-(bromomethyl)-2-hydroxybenzaldehyde.
What is the SMILES notation for 5-bromo-3-(bromomethyl)-2-hydroxybenzaldehyde?
The canonical SMILES for 5-bromo-3-(bromomethyl)-2-hydroxybenzaldehyde is O=Cc1cc(Br)cc(CBr)c1O.
What is the InChIKey of 5-bromo-3-(bromomethyl)-2-hydroxybenzaldehyde?
The InChIKey is OWSJYFRWCDVPKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Br2O2/c9-3-5-1-7(10)2-6(4-11)8(5)12/h1-2,4,12H,3H2.
What are the key properties of 5-bromo-3-(bromomethyl)-2-hydroxybenzaldehyde?
5-bromo-3-(bromomethyl)-2-hydroxybenzaldehyde has a molecular weight of 293.94 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(bromomethyl)-2-hydroxybenzaldehyde is sourced from PubChem (CID 71413041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).