5-bromo-3-chloro-2,4-dihydroxybenzaldehyde

C7H4BrClO3 — CID 14832396

IUPAC5-bromo-3-chloro-2,4-dihydroxybenzaldehyde
SMILESO=Cc1cc(Br)c(O)c(Cl)c1O
InChIInChI=1S/C7H4BrClO3/c8-4-1-3(2-10)6(11)5(9)7(4)12/h1-2,11-12H
InChIKeyQCWXOICMIXIGRN-UHFFFAOYSA-N
MW251.46 g/mol
LogP2.33
Rot. Bonds1

About 5-bromo-3-chloro-2,4-dihydroxybenzaldehyde

5-bromo-3-chloro-2,4-dihydroxybenzaldehyde (PubChem CID 14832396) has the molecular formula C7H4BrClO3 and a molecular weight of 251.46 g/mol. Its IUPAC name is 5-bromo-3-chloro-2,4-dihydroxybenzaldehyde.

Molecular Properties

Compound Name5-bromo-3-chloro-2,4-dihydroxybenzaldehyde
PubChem CID14832396
Molecular FormulaC7H4BrClO3
Molecular Weight251.46 g/mol
Exact Mass249.90
IUPAC Name5-bromo-3-chloro-2,4-dihydroxybenzaldehyde
SMILESO=Cc1cc(Br)c(O)c(Cl)c1O
InChIInChI=1S/C7H4BrClO3/c8-4-1-3(2-10)6(11)5(9)7(4)12/h1-2,11-12H
InChIKeyQCWXOICMIXIGRN-UHFFFAOYSA-N
XLogP2.33
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.46
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-chloro-2,4-dihydroxybenzaldehyde?
The IUPAC name of 5-bromo-3-chloro-2,4-dihydroxybenzaldehyde (CID 14832396) is 5-bromo-3-chloro-2,4-dihydroxybenzaldehyde.
What is the SMILES notation for 5-bromo-3-chloro-2,4-dihydroxybenzaldehyde?
The canonical SMILES for 5-bromo-3-chloro-2,4-dihydroxybenzaldehyde is O=Cc1cc(Br)c(O)c(Cl)c1O.
What is the InChIKey of 5-bromo-3-chloro-2,4-dihydroxybenzaldehyde?
The InChIKey is QCWXOICMIXIGRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrClO3/c8-4-1-3(2-10)6(11)5(9)7(4)12/h1-2,11-12H.
What are the key properties of 5-bromo-3-chloro-2,4-dihydroxybenzaldehyde?
5-bromo-3-chloro-2,4-dihydroxybenzaldehyde has a molecular weight of 251.46 g/mol, XLogP of 2.33, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-chloro-2,4-dihydroxybenzaldehyde is sourced from PubChem (CID 14832396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).