5-bromo-3,4-difluoro-2-hydroxybenzaldehyde

C7H3BrF2O2 — CID 53485944

IUPAC5-bromo-3,4-difluoro-2-hydroxybenzaldehyde
SMILESO=Cc1cc(Br)c(F)c(F)c1O
InChIInChI=1S/C7H3BrF2O2/c8-4-1-3(2-11)7(12)6(10)5(4)9/h1-2,12H
InChIKeyGZYDORINQPDUJX-UHFFFAOYSA-N
MW237.00 g/mol
LogP2.25
Rot. Bonds1

About 5-bromo-3,4-difluoro-2-hydroxybenzaldehyde

5-bromo-3,4-difluoro-2-hydroxybenzaldehyde (PubChem CID 53485944) has the molecular formula C7H3BrF2O2 and a molecular weight of 237.00 g/mol. Its IUPAC name is 5-bromo-3,4-difluoro-2-hydroxybenzaldehyde.

Molecular Properties

Compound Name5-bromo-3,4-difluoro-2-hydroxybenzaldehyde
PubChem CID53485944
Molecular FormulaC7H3BrF2O2
Molecular Weight237.00 g/mol
Exact Mass235.93
IUPAC Name5-bromo-3,4-difluoro-2-hydroxybenzaldehyde
SMILESO=Cc1cc(Br)c(F)c(F)c1O
InChIInChI=1S/C7H3BrF2O2/c8-4-1-3(2-11)7(12)6(10)5(4)9/h1-2,12H
InChIKeyGZYDORINQPDUJX-UHFFFAOYSA-N
XLogP2.25
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.00
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

3,5-dibromo-4-fluoro-2-hydroxybenzaldehyde
CID 7172126
5-bromo-3-fluoro-2-hydroxy-4-methoxybenzaldehyde
CID 84803664
3,5-difluoro-2,4-dihydroxybenzaldehyde
CID 18942327
5-bromo-3-chloro-2,4-dihydroxybenzaldehyde
CID 14832396
2,3-difluoro-4,5-dihydroxybenzaldehyde
CID 45120078
2,5-dibromo-3,4-dihydroxybenzaldehyde
CID 3613602
7-fluoro-6-hydroxy-1-benzothiophene-5-carbaldehyde
CID 131150700
3,5-difluoro-2-hydroxy-4-methoxybenzaldehyde
CID 84770629
5-bromo-3-ethyl-2,4-difluorobenzaldehyde
CID 138676739
3-bromo-5-[2-(3-bromo-5-formyl-4-hydroxyphenyl)propan-2-yl]-2-hydroxybenzaldehyde
CID 86053223
5-bromo-4-fluoro-2,3-dimethoxybenzaldehyde
CID 84710945
3-bromo-4-fluoro-5-hydroxybenzaldehyde
CID 84786434

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3,4-difluoro-2-hydroxybenzaldehyde?
The IUPAC name of 5-bromo-3,4-difluoro-2-hydroxybenzaldehyde (CID 53485944) is 5-bromo-3,4-difluoro-2-hydroxybenzaldehyde.
What is the SMILES notation for 5-bromo-3,4-difluoro-2-hydroxybenzaldehyde?
The canonical SMILES for 5-bromo-3,4-difluoro-2-hydroxybenzaldehyde is O=Cc1cc(Br)c(F)c(F)c1O.
What is the InChIKey of 5-bromo-3,4-difluoro-2-hydroxybenzaldehyde?
The InChIKey is GZYDORINQPDUJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrF2O2/c8-4-1-3(2-11)7(12)6(10)5(4)9/h1-2,12H.
What are the key properties of 5-bromo-3,4-difluoro-2-hydroxybenzaldehyde?
5-bromo-3,4-difluoro-2-hydroxybenzaldehyde has a molecular weight of 237.00 g/mol, XLogP of 2.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3,4-difluoro-2-hydroxybenzaldehyde is sourced from PubChem (CID 53485944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).