3,5-dibromo-4-fluoro-2-hydroxybenzaldehyde

C7H3Br2FO2 — CID 7172126

IUPAC3,5-dibromo-4-fluoro-2-hydroxybenzaldehyde
SMILESO=Cc1cc(Br)c(F)c(Br)c1O
InChIInChI=1S/C7H3Br2FO2/c8-4-1-3(2-11)7(12)5(9)6(4)10/h1-2,12H
InChIKeyBYTBCQARDOIGFP-UHFFFAOYSA-N
MW297.91 g/mol
LogP2.87
Rot. Bonds1

About 3,5-dibromo-4-fluoro-2-hydroxybenzaldehyde

3,5-dibromo-4-fluoro-2-hydroxybenzaldehyde (PubChem CID 7172126) has the molecular formula C7H3Br2FO2 and a molecular weight of 297.91 g/mol. Its IUPAC name is 3,5-dibromo-4-fluoro-2-hydroxybenzaldehyde.

Molecular Properties

Compound Name3,5-dibromo-4-fluoro-2-hydroxybenzaldehyde
PubChem CID7172126
Molecular FormulaC7H3Br2FO2
Molecular Weight297.91 g/mol
Exact Mass295.85
IUPAC Name3,5-dibromo-4-fluoro-2-hydroxybenzaldehyde
SMILESO=Cc1cc(Br)c(F)c(Br)c1O
InChIInChI=1S/C7H3Br2FO2/c8-4-1-3(2-11)7(12)5(9)6(4)10/h1-2,12H
InChIKeyBYTBCQARDOIGFP-UHFFFAOYSA-N
XLogP2.87
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.91
LogP ≤ 52.87
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'}

Analyze 3,5-dibromo-4-fluoro-2-hydroxybenzaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-4-fluoro-2-hydroxybenzaldehyde?
The IUPAC name of 3,5-dibromo-4-fluoro-2-hydroxybenzaldehyde (CID 7172126) is 3,5-dibromo-4-fluoro-2-hydroxybenzaldehyde.
What is the SMILES notation for 3,5-dibromo-4-fluoro-2-hydroxybenzaldehyde?
The canonical SMILES for 3,5-dibromo-4-fluoro-2-hydroxybenzaldehyde is O=Cc1cc(Br)c(F)c(Br)c1O.
What is the InChIKey of 3,5-dibromo-4-fluoro-2-hydroxybenzaldehyde?
The InChIKey is BYTBCQARDOIGFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3Br2FO2/c8-4-1-3(2-11)7(12)5(9)6(4)10/h1-2,12H.
What are the key properties of 3,5-dibromo-4-fluoro-2-hydroxybenzaldehyde?
3,5-dibromo-4-fluoro-2-hydroxybenzaldehyde has a molecular weight of 297.91 g/mol, XLogP of 2.87, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-4-fluoro-2-hydroxybenzaldehyde is sourced from PubChem (CID 7172126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).