6-bromoisoquinolin-1-amine

C9H7BrN2 — CID 22607616

IUPAC6-bromoisoquinolin-1-amine
SMILESNc1nccc2cc(Br)ccc12
InChIInChI=1S/C9H7BrN2/c10-7-1-2-8-6(5-7)3-4-12-9(8)11/h1-5H,(H2,11,12)
InChIKeyPZNNAAGLKCNZKE-UHFFFAOYSA-N
MW223.07 g/mol
LogP2.58
Rot. Bonds

About 6-bromoisoquinolin-1-amine

6-bromoisoquinolin-1-amine (PubChem CID 22607616) has the molecular formula C9H7BrN2 and a molecular weight of 223.07 g/mol. Its IUPAC name is 6-bromoisoquinolin-1-amine.

Molecular Properties

Compound Name6-bromoisoquinolin-1-amine
PubChem CID22607616
Molecular FormulaC9H7BrN2
Molecular Weight223.07 g/mol
Exact Mass221.98
IUPAC Name6-bromoisoquinolin-1-amine
SMILESNc1nccc2cc(Br)ccc12
InChIInChI=1S/C9H7BrN2/c10-7-1-2-8-6(5-7)3-4-12-9(8)11/h1-5H,(H2,11,12)
InChIKeyPZNNAAGLKCNZKE-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 6-bromoisoquinolin-1-amine?
The IUPAC name of 6-bromoisoquinolin-1-amine (CID 22607616) is 6-bromoisoquinolin-1-amine.
What is the SMILES notation for 6-bromoisoquinolin-1-amine?
The canonical SMILES for 6-bromoisoquinolin-1-amine is Nc1nccc2cc(Br)ccc12.
What is the InChIKey of 6-bromoisoquinolin-1-amine?
The InChIKey is PZNNAAGLKCNZKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN2/c10-7-1-2-8-6(5-7)3-4-12-9(8)11/h1-5H,(H2,11,12).
What are the key properties of 6-bromoisoquinolin-1-amine?
6-bromoisoquinolin-1-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 6-bromoisoquinolin-1-amine is sourced from PubChem (CID 22607616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).