6-bromo-2-hydroxynaphthalene-1-carbaldehyde

C11H7BrO2 — CID 735457

IUPAC6-bromo-2-hydroxynaphthalene-1-carbaldehyde
SMILESO=Cc1c(O)ccc2cc(Br)ccc12
InChIInChI=1S/C11H7BrO2/c12-8-2-3-9-7(5-8)1-4-11(14)10(9)6-13/h1-6,14H
InChIKeyGSZLSWQEDNSDKG-UHFFFAOYSA-N
MW251.08 g/mol
LogP3.12
Rot. Bonds1

About 6-bromo-2-hydroxynaphthalene-1-carbaldehyde

6-bromo-2-hydroxynaphthalene-1-carbaldehyde (PubChem CID 735457) has the molecular formula C11H7BrO2 and a molecular weight of 251.08 g/mol. Its IUPAC name is 6-bromo-2-hydroxynaphthalene-1-carbaldehyde.

Molecular Properties

Compound Name6-bromo-2-hydroxynaphthalene-1-carbaldehyde
PubChem CID735457
Molecular FormulaC11H7BrO2
Molecular Weight251.08 g/mol
Exact Mass249.96
IUPAC Name6-bromo-2-hydroxynaphthalene-1-carbaldehyde
SMILESO=Cc1c(O)ccc2cc(Br)ccc12
InChIInChI=1S/C11H7BrO2/c12-8-2-3-9-7(5-8)1-4-11(14)10(9)6-13/h1-6,14H
InChIKeyGSZLSWQEDNSDKG-UHFFFAOYSA-N
XLogP3.12
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.08
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-bromo-2-hydroxynaphthalene-1-carbaldehyde 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 6-bromo-2-hydroxynaphthalene-1-carbaldehyde?
The IUPAC name of 6-bromo-2-hydroxynaphthalene-1-carbaldehyde (CID 735457) is 6-bromo-2-hydroxynaphthalene-1-carbaldehyde.
What is the SMILES notation for 6-bromo-2-hydroxynaphthalene-1-carbaldehyde?
The canonical SMILES for 6-bromo-2-hydroxynaphthalene-1-carbaldehyde is O=Cc1c(O)ccc2cc(Br)ccc12.
What is the InChIKey of 6-bromo-2-hydroxynaphthalene-1-carbaldehyde?
The InChIKey is GSZLSWQEDNSDKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrO2/c12-8-2-3-9-7(5-8)1-4-11(14)10(9)6-13/h1-6,14H.
What are the key properties of 6-bromo-2-hydroxynaphthalene-1-carbaldehyde?
6-bromo-2-hydroxynaphthalene-1-carbaldehyde has a molecular weight of 251.08 g/mol, XLogP of 3.12, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-hydroxynaphthalene-1-carbaldehyde is sourced from PubChem (CID 735457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).