6-bromoisoquinolin-8-amine

C9H7BrN2 — CID 155895327

IUPAC6-bromoisoquinolin-8-amine
SMILESNc1cc(Br)cc2ccncc12
InChIInChI=1S/C9H7BrN2/c10-7-3-6-1-2-12-5-8(6)9(11)4-7/h1-5H,11H2
InChIKeyZRKNMBYFRJJIFF-UHFFFAOYSA-N
MW223.07 g/mol
LogP2.58
Rot. Bonds

About 6-bromoisoquinolin-8-amine

6-bromoisoquinolin-8-amine (PubChem CID 155895327) has the molecular formula C9H7BrN2 and a molecular weight of 223.07 g/mol. Its IUPAC name is 6-bromoisoquinolin-8-amine.

Molecular Properties

Compound Name6-bromoisoquinolin-8-amine
PubChem CID155895327
Molecular FormulaC9H7BrN2
Molecular Weight223.07 g/mol
Exact Mass221.98
IUPAC Name6-bromoisoquinolin-8-amine
SMILESNc1cc(Br)cc2ccncc12
InChIInChI=1S/C9H7BrN2/c10-7-3-6-1-2-12-5-8(6)9(11)4-7/h1-5H,11H2
InChIKeyZRKNMBYFRJJIFF-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

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-bromoisoquinolin-8-amine?
The IUPAC name of 6-bromoisoquinolin-8-amine (CID 155895327) is 6-bromoisoquinolin-8-amine.
What is the SMILES notation for 6-bromoisoquinolin-8-amine?
The canonical SMILES for 6-bromoisoquinolin-8-amine is Nc1cc(Br)cc2ccncc12.
What is the InChIKey of 6-bromoisoquinolin-8-amine?
The InChIKey is ZRKNMBYFRJJIFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN2/c10-7-3-6-1-2-12-5-8(6)9(11)4-7/h1-5H,11H2.
What are the key properties of 6-bromoisoquinolin-8-amine?
6-bromoisoquinolin-8-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-8-amine is sourced from PubChem (CID 155895327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).