5-bromo-3-fluoro-2-hydroxybenzaldehyde

C7H4BrFO2 — CID 2779276

IUPAC5-bromo-3-fluoro-2-hydroxybenzaldehyde
SMILESO=Cc1cc(Br)cc(F)c1O
InChIInChI=1S/C7H4BrFO2/c8-5-1-4(3-10)7(11)6(9)2-5/h1-3,11H
InChIKeyYYCQXIWKIRQWHN-UHFFFAOYSA-N
MW219.01 g/mol
LogP2.11
Rot. Bonds1

About 5-bromo-3-fluoro-2-hydroxybenzaldehyde

5-bromo-3-fluoro-2-hydroxybenzaldehyde (PubChem CID 2779276) has the molecular formula C7H4BrFO2 and a molecular weight of 219.01 g/mol. Its IUPAC name is 5-bromo-3-fluoro-2-hydroxybenzaldehyde.

Molecular Properties

Compound Name5-bromo-3-fluoro-2-hydroxybenzaldehyde
PubChem CID2779276
Molecular FormulaC7H4BrFO2
Molecular Weight219.01 g/mol
Exact Mass217.94
IUPAC Name5-bromo-3-fluoro-2-hydroxybenzaldehyde
SMILESO=Cc1cc(Br)cc(F)c1O
InChIInChI=1S/C7H4BrFO2/c8-5-1-4(3-10)7(11)6(9)2-5/h1-3,11H
InChIKeyYYCQXIWKIRQWHN-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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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-fluoro-2-hydroxybenzaldehyde?
The IUPAC name of 5-bromo-3-fluoro-2-hydroxybenzaldehyde (CID 2779276) is 5-bromo-3-fluoro-2-hydroxybenzaldehyde.
What is the SMILES notation for 5-bromo-3-fluoro-2-hydroxybenzaldehyde?
The canonical SMILES for 5-bromo-3-fluoro-2-hydroxybenzaldehyde is O=Cc1cc(Br)cc(F)c1O.
What is the InChIKey of 5-bromo-3-fluoro-2-hydroxybenzaldehyde?
The InChIKey is YYCQXIWKIRQWHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrFO2/c8-5-1-4(3-10)7(11)6(9)2-5/h1-3,11H.
What are the key properties of 5-bromo-3-fluoro-2-hydroxybenzaldehyde?
5-bromo-3-fluoro-2-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 5-bromo-3-fluoro-2-hydroxybenzaldehyde is sourced from PubChem (CID 2779276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).