5-bromo-2-hydroxy-3-(trifluoromethyl)benzaldehyde

C8H4BrF3O2 — CID 2779278

IUPAC5-bromo-2-hydroxy-3-(trifluoromethyl)benzaldehyde
SMILESO=Cc1cc(Br)cc(C(F)(F)F)c1O
InChIInChI=1S/C8H4BrF3O2/c9-5-1-4(3-13)7(14)6(2-5)8(10,11)12/h1-3,14H
InChIKeyNCOPDQCEVBJGNB-UHFFFAOYSA-N
MW269.02 g/mol
LogP2.99
Rot. Bonds1

About 5-bromo-2-hydroxy-3-(trifluoromethyl)benzaldehyde

5-bromo-2-hydroxy-3-(trifluoromethyl)benzaldehyde (PubChem CID 2779278) has the molecular formula C8H4BrF3O2 and a molecular weight of 269.02 g/mol. Its IUPAC name is 5-bromo-2-hydroxy-3-(trifluoromethyl)benzaldehyde.

Molecular Properties

Compound Name5-bromo-2-hydroxy-3-(trifluoromethyl)benzaldehyde
PubChem CID2779278
Molecular FormulaC8H4BrF3O2
Molecular Weight269.02 g/mol
Exact Mass267.93
IUPAC Name5-bromo-2-hydroxy-3-(trifluoromethyl)benzaldehyde
SMILESO=Cc1cc(Br)cc(C(F)(F)F)c1O
InChIInChI=1S/C8H4BrF3O2/c9-5-1-4(3-13)7(14)6(2-5)8(10,11)12/h1-3,14H
InChIKeyNCOPDQCEVBJGNB-UHFFFAOYSA-N
XLogP2.99
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.02
LogP ≤ 52.99
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-2-hydroxy-3-(trifluoromethyl)benzaldehyde?
The IUPAC name of 5-bromo-2-hydroxy-3-(trifluoromethyl)benzaldehyde (CID 2779278) is 5-bromo-2-hydroxy-3-(trifluoromethyl)benzaldehyde.
What is the SMILES notation for 5-bromo-2-hydroxy-3-(trifluoromethyl)benzaldehyde?
The canonical SMILES for 5-bromo-2-hydroxy-3-(trifluoromethyl)benzaldehyde is O=Cc1cc(Br)cc(C(F)(F)F)c1O.
What is the InChIKey of 5-bromo-2-hydroxy-3-(trifluoromethyl)benzaldehyde?
The InChIKey is NCOPDQCEVBJGNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrF3O2/c9-5-1-4(3-13)7(14)6(2-5)8(10,11)12/h1-3,14H.
What are the key properties of 5-bromo-2-hydroxy-3-(trifluoromethyl)benzaldehyde?
5-bromo-2-hydroxy-3-(trifluoromethyl)benzaldehyde has a molecular weight of 269.02 g/mol, XLogP of 2.99, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-hydroxy-3-(trifluoromethyl)benzaldehyde is sourced from PubChem (CID 2779278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).