7-bromoisoquinolin-3-amine

C9H7BrN2 — CID 52987757

IUPAC7-bromoisoquinolin-3-amine
SMILESNc1cc2ccc(Br)cc2cn1
InChIInChI=1S/C9H7BrN2/c10-8-2-1-6-4-9(11)12-5-7(6)3-8/h1-5H,(H2,11,12)
InChIKeyFBTKUAFGTDENLW-UHFFFAOYSA-N
MW223.07 g/mol
LogP2.58
Rot. Bonds

About 7-bromoisoquinolin-3-amine

7-bromoisoquinolin-3-amine (PubChem CID 52987757) has the molecular formula C9H7BrN2 and a molecular weight of 223.07 g/mol. Its IUPAC name is 7-bromoisoquinolin-3-amine.

Molecular Properties

Compound Name7-bromoisoquinolin-3-amine
PubChem CID52987757
Molecular FormulaC9H7BrN2
Molecular Weight223.07 g/mol
Exact Mass221.98
IUPAC Name7-bromoisoquinolin-3-amine
SMILESNc1cc2ccc(Br)cc2cn1
InChIInChI=1S/C9H7BrN2/c10-8-2-1-6-4-9(11)12-5-7(6)3-8/h1-5H,(H2,11,12)
InChIKeyFBTKUAFGTDENLW-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 7-bromoisoquinolin-3-amine?
The IUPAC name of 7-bromoisoquinolin-3-amine (CID 52987757) is 7-bromoisoquinolin-3-amine.
What is the SMILES notation for 7-bromoisoquinolin-3-amine?
The canonical SMILES for 7-bromoisoquinolin-3-amine is Nc1cc2ccc(Br)cc2cn1.
What is the InChIKey of 7-bromoisoquinolin-3-amine?
The InChIKey is FBTKUAFGTDENLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN2/c10-8-2-1-6-4-9(11)12-5-7(6)3-8/h1-5H,(H2,11,12).
What are the key properties of 7-bromoisoquinolin-3-amine?
7-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 7-bromoisoquinolin-3-amine is sourced from PubChem (CID 52987757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).