5-bromonaphthalene-1,6-dicarbaldehyde

C12H7BrO2 — CID 22151791

IUPAC5-bromonaphthalene-1,6-dicarbaldehyde
SMILESO=Cc1ccc2c(C=O)cccc2c1Br
InChIInChI=1S/C12H7BrO2/c13-12-9(7-15)4-5-10-8(6-14)2-1-3-11(10)12/h1-7H
InChIKeyGRTWYYHRIROQRR-UHFFFAOYSA-N
MW263.09 g/mol
LogP3.23
Rot. Bonds2

About 5-bromonaphthalene-1,6-dicarbaldehyde

5-bromonaphthalene-1,6-dicarbaldehyde (PubChem CID 22151791) has the molecular formula C12H7BrO2 and a molecular weight of 263.09 g/mol. Its IUPAC name is 5-bromonaphthalene-1,6-dicarbaldehyde.

Molecular Properties

Compound Name5-bromonaphthalene-1,6-dicarbaldehyde
PubChem CID22151791
Molecular FormulaC12H7BrO2
Molecular Weight263.09 g/mol
Exact Mass261.96
IUPAC Name5-bromonaphthalene-1,6-dicarbaldehyde
SMILESO=Cc1ccc2c(C=O)cccc2c1Br
InChIInChI=1S/C12H7BrO2/c13-12-9(7-15)4-5-10-8(6-14)2-1-3-11(10)12/h1-7H
InChIKeyGRTWYYHRIROQRR-UHFFFAOYSA-N
XLogP3.23
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.09
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-bromonaphthalene-1,6-dicarbaldehyde 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 5-bromonaphthalene-1,6-dicarbaldehyde?
The IUPAC name of 5-bromonaphthalene-1,6-dicarbaldehyde (CID 22151791) is 5-bromonaphthalene-1,6-dicarbaldehyde.
What is the SMILES notation for 5-bromonaphthalene-1,6-dicarbaldehyde?
The canonical SMILES for 5-bromonaphthalene-1,6-dicarbaldehyde is O=Cc1ccc2c(C=O)cccc2c1Br.
What is the InChIKey of 5-bromonaphthalene-1,6-dicarbaldehyde?
The InChIKey is GRTWYYHRIROQRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrO2/c13-12-9(7-15)4-5-10-8(6-14)2-1-3-11(10)12/h1-7H.
What are the key properties of 5-bromonaphthalene-1,6-dicarbaldehyde?
5-bromonaphthalene-1,6-dicarbaldehyde has a molecular weight of 263.09 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromonaphthalene-1,6-dicarbaldehyde is sourced from PubChem (CID 22151791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).