8-bromo-5-fluoroisoquinoline-6-carbaldehyde

C10H5BrFNO — CID 155390382

IUPAC8-bromo-5-fluoroisoquinoline-6-carbaldehyde
SMILESO=Cc1cc(Br)c2cnccc2c1F
InChIInChI=1S/C10H5BrFNO/c11-9-3-6(5-14)10(12)7-1-2-13-4-8(7)9/h1-5H
InChIKeyUGRSRIXJPSCAHG-UHFFFAOYSA-N
MW254.06 g/mol
LogP2.95
Rot. Bonds1

About 8-bromo-5-fluoroisoquinoline-6-carbaldehyde

8-bromo-5-fluoroisoquinoline-6-carbaldehyde (PubChem CID 155390382) has the molecular formula C10H5BrFNO and a molecular weight of 254.06 g/mol. Its IUPAC name is 8-bromo-5-fluoroisoquinoline-6-carbaldehyde.

Molecular Properties

Compound Name8-bromo-5-fluoroisoquinoline-6-carbaldehyde
PubChem CID155390382
Molecular FormulaC10H5BrFNO
Molecular Weight254.06 g/mol
Exact Mass252.95
IUPAC Name8-bromo-5-fluoroisoquinoline-6-carbaldehyde
SMILESO=Cc1cc(Br)c2cnccc2c1F
InChIInChI=1S/C10H5BrFNO/c11-9-3-6(5-14)10(12)7-1-2-13-4-8(7)9/h1-5H
InChIKeyUGRSRIXJPSCAHG-UHFFFAOYSA-N
XLogP2.95
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.06
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 8-bromo-5-fluoroisoquinoline-6-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 8-bromo-5-fluoroisoquinoline-6-carbaldehyde?
The IUPAC name of 8-bromo-5-fluoroisoquinoline-6-carbaldehyde (CID 155390382) is 8-bromo-5-fluoroisoquinoline-6-carbaldehyde.
What is the SMILES notation for 8-bromo-5-fluoroisoquinoline-6-carbaldehyde?
The canonical SMILES for 8-bromo-5-fluoroisoquinoline-6-carbaldehyde is O=Cc1cc(Br)c2cnccc2c1F.
What is the InChIKey of 8-bromo-5-fluoroisoquinoline-6-carbaldehyde?
The InChIKey is UGRSRIXJPSCAHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrFNO/c11-9-3-6(5-14)10(12)7-1-2-13-4-8(7)9/h1-5H.
What are the key properties of 8-bromo-5-fluoroisoquinoline-6-carbaldehyde?
8-bromo-5-fluoroisoquinoline-6-carbaldehyde has a molecular weight of 254.06 g/mol, XLogP of 2.95, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-5-fluoroisoquinoline-6-carbaldehyde is sourced from PubChem (CID 155390382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).