7-bromo-6-fluoroisoquinoline

C9H5BrFN — CID 53402964

IUPAC7-bromo-6-fluoroisoquinoline
SMILESFc1cc2ccncc2cc1Br
InChIInChI=1S/C9H5BrFN/c10-8-3-7-5-12-2-1-6(7)4-9(8)11/h1-5H
InChIKeyABZAYLFRWGIRDU-UHFFFAOYSA-N
MW226.05 g/mol
LogP3.14
Rot. Bonds

About 7-bromo-6-fluoroisoquinoline

7-bromo-6-fluoroisoquinoline (PubChem CID 53402964) has the molecular formula C9H5BrFN and a molecular weight of 226.05 g/mol. Its IUPAC name is 7-bromo-6-fluoroisoquinoline.

Molecular Properties

Compound Name7-bromo-6-fluoroisoquinoline
PubChem CID53402964
Molecular FormulaC9H5BrFN
Molecular Weight226.05 g/mol
Exact Mass224.96
IUPAC Name7-bromo-6-fluoroisoquinoline
SMILESFc1cc2ccncc2cc1Br
InChIInChI=1S/C9H5BrFN/c10-8-3-7-5-12-2-1-6(7)4-9(8)11/h1-5H
InChIKeyABZAYLFRWGIRDU-UHFFFAOYSA-N
XLogP3.14
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.05
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 7-bromo-6-fluoroisoquinoline 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 7-bromo-6-fluoroisoquinoline?
The IUPAC name of 7-bromo-6-fluoroisoquinoline (CID 53402964) is 7-bromo-6-fluoroisoquinoline.
What is the SMILES notation for 7-bromo-6-fluoroisoquinoline?
The canonical SMILES for 7-bromo-6-fluoroisoquinoline is Fc1cc2ccncc2cc1Br.
What is the InChIKey of 7-bromo-6-fluoroisoquinoline?
The InChIKey is ABZAYLFRWGIRDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrFN/c10-8-3-7-5-12-2-1-6(7)4-9(8)11/h1-5H.
What are the key properties of 7-bromo-6-fluoroisoquinoline?
7-bromo-6-fluoroisoquinoline has a molecular weight of 226.05 g/mol, XLogP of 3.14, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-6-fluoroisoquinoline is sourced from PubChem (CID 53402964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).