6-bromo-5-fluoroisoquinoline

C9H5BrFN — CID 118798101

IUPAC6-bromo-5-fluoroisoquinoline
SMILESFc1c(Br)ccc2cnccc12
InChIInChI=1S/C9H5BrFN/c10-8-2-1-6-5-12-4-3-7(6)9(8)11/h1-5H
InChIKeyNAUNIYPLNKIBDK-UHFFFAOYSA-N
MW226.05 g/mol
LogP3.14
Rot. Bonds

About 6-bromo-5-fluoroisoquinoline

6-bromo-5-fluoroisoquinoline (PubChem CID 118798101) has the molecular formula C9H5BrFN and a molecular weight of 226.05 g/mol. Its IUPAC name is 6-bromo-5-fluoroisoquinoline.

Molecular Properties

Compound Name6-bromo-5-fluoroisoquinoline
PubChem CID118798101
Molecular FormulaC9H5BrFN
Molecular Weight226.05 g/mol
Exact Mass224.96
IUPAC Name6-bromo-5-fluoroisoquinoline
SMILESFc1c(Br)ccc2cnccc12
InChIInChI=1S/C9H5BrFN/c10-8-2-1-6-5-12-4-3-7(6)9(8)11/h1-5H
InChIKeyNAUNIYPLNKIBDK-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

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-5-fluoroisoquinoline?
The IUPAC name of 6-bromo-5-fluoroisoquinoline (CID 118798101) is 6-bromo-5-fluoroisoquinoline.
What is the SMILES notation for 6-bromo-5-fluoroisoquinoline?
The canonical SMILES for 6-bromo-5-fluoroisoquinoline is Fc1c(Br)ccc2cnccc12.
What is the InChIKey of 6-bromo-5-fluoroisoquinoline?
The InChIKey is NAUNIYPLNKIBDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5BrFN/c10-8-2-1-6-5-12-4-3-7(6)9(8)11/h1-5H.
What are the key properties of 6-bromo-5-fluoroisoquinoline?
6-bromo-5-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 6-bromo-5-fluoroisoquinoline is sourced from PubChem (CID 118798101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).