3-bromo-4-fluoro-5-hydroxybenzaldehyde

C7H4BrFO2 — CID 84786434

IUPAC3-bromo-4-fluoro-5-hydroxybenzaldehyde
SMILESO=Cc1cc(O)c(F)c(Br)c1
InChIInChI=1S/C7H4BrFO2/c8-5-1-4(3-10)2-6(11)7(5)9/h1-3,11H
InChIKeyAKAVAQYOUJRKQP-UHFFFAOYSA-N
MW219.01 g/mol
LogP2.11
Rot. Bonds1

About 3-bromo-4-fluoro-5-hydroxybenzaldehyde

3-bromo-4-fluoro-5-hydroxybenzaldehyde (PubChem CID 84786434) has the molecular formula C7H4BrFO2 and a molecular weight of 219.01 g/mol. Its IUPAC name is 3-bromo-4-fluoro-5-hydroxybenzaldehyde.

Molecular Properties

Compound Name3-bromo-4-fluoro-5-hydroxybenzaldehyde
PubChem CID84786434
Molecular FormulaC7H4BrFO2
Molecular Weight219.01 g/mol
Exact Mass217.94
IUPAC Name3-bromo-4-fluoro-5-hydroxybenzaldehyde
SMILESO=Cc1cc(O)c(F)c(Br)c1
InChIInChI=1S/C7H4BrFO2/c8-5-1-4(3-10)2-6(11)7(5)9/h1-3,11H
InChIKeyAKAVAQYOUJRKQP-UHFFFAOYSA-N
XLogP2.11
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.01
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,4,5-trihydroxybenzaldehyde
CID 157253405
5-bromo-3,4-difluoro-2-hydroxybenzaldehyde
CID 53485944
3-bromo-4-fluoro-5-hydroxybenzoyl chloride
CID 130775106
3,5-dibromo-4-fluoro-2-hydroxybenzaldehyde
CID 7172126
4-fluoro-3-hydroxybenzaldehyde;tribromoborane
CID 160631935
3-bromo-4-hydroxy-5-(trifluoromethoxy)benzaldehyde
CID 162531262
5-(1-aminocyclopropyl)-3-bromo-2-fluorophenol
CID 84803020
3-bromo-4-fluoro-5-hydroxybenzonitrile
CID 131117980
3-chloro-4,5-dihydroxybenzaldehyde
CID 2468182
4,5-dihydroxybenzene-1,3-dicarbaldehyde
CID 19069872
3-bromo-4-hydroxy-5-nitrobenzaldehyde
CID 1494378
3,5-dihydroxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carbaldehyde
CID 169438397

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-fluoro-5-hydroxybenzaldehyde?
The IUPAC name of 3-bromo-4-fluoro-5-hydroxybenzaldehyde (CID 84786434) is 3-bromo-4-fluoro-5-hydroxybenzaldehyde.
What is the SMILES notation for 3-bromo-4-fluoro-5-hydroxybenzaldehyde?
The canonical SMILES for 3-bromo-4-fluoro-5-hydroxybenzaldehyde is O=Cc1cc(O)c(F)c(Br)c1.
What is the InChIKey of 3-bromo-4-fluoro-5-hydroxybenzaldehyde?
The InChIKey is AKAVAQYOUJRKQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrFO2/c8-5-1-4(3-10)2-6(11)7(5)9/h1-3,11H.
What are the key properties of 3-bromo-4-fluoro-5-hydroxybenzaldehyde?
3-bromo-4-fluoro-5-hydroxybenzaldehyde has a molecular weight of 219.01 g/mol, XLogP of 2.11, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-fluoro-5-hydroxybenzaldehyde is sourced from PubChem (CID 84786434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).