5-bromoisoquinolin-3-amine

C9H7BrN2 — CID 53418447

IUPAC5-bromoisoquinolin-3-amine
SMILESNc1cc2c(Br)cccc2cn1
InChIInChI=1S/C9H7BrN2/c10-8-3-1-2-6-5-12-9(11)4-7(6)8/h1-5H,(H2,11,12)
InChIKeyVZWSVFLRMXYQLA-UHFFFAOYSA-N
MW223.07 g/mol
LogP2.58
Rot. Bonds

About 5-bromoisoquinolin-3-amine

5-bromoisoquinolin-3-amine (PubChem CID 53418447) has the molecular formula C9H7BrN2 and a molecular weight of 223.07 g/mol. Its IUPAC name is 5-bromoisoquinolin-3-amine.

Molecular Properties

Compound Name5-bromoisoquinolin-3-amine
PubChem CID53418447
Molecular FormulaC9H7BrN2
Molecular Weight223.07 g/mol
Exact Mass221.98
IUPAC Name5-bromoisoquinolin-3-amine
SMILESNc1cc2c(Br)cccc2cn1
InChIInChI=1S/C9H7BrN2/c10-8-3-1-2-6-5-12-9(11)4-7(6)8/h1-5H,(H2,11,12)
InChIKeyVZWSVFLRMXYQLA-UHFFFAOYSA-N
XLogP2.58
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.07
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromoisoquinolin-3-amine?
The IUPAC name of 5-bromoisoquinolin-3-amine (CID 53418447) is 5-bromoisoquinolin-3-amine.
What is the SMILES notation for 5-bromoisoquinolin-3-amine?
The canonical SMILES for 5-bromoisoquinolin-3-amine is Nc1cc2c(Br)cccc2cn1.
What is the InChIKey of 5-bromoisoquinolin-3-amine?
The InChIKey is VZWSVFLRMXYQLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN2/c10-8-3-1-2-6-5-12-9(11)4-7(6)8/h1-5H,(H2,11,12).
What are the key properties of 5-bromoisoquinolin-3-amine?
5-bromoisoquinolin-3-amine has a molecular weight of 223.07 g/mol, XLogP of 2.58, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromoisoquinolin-3-amine is sourced from PubChem (CID 53418447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).