8-bromo-6-iodoisoquinolin-7-amine

C9H6BrIN2 — CID 68760537

IUPAC8-bromo-6-iodoisoquinolin-7-amine
SMILESNc1c(I)cc2ccncc2c1Br
InChIInChI=1S/C9H6BrIN2/c10-8-6-4-13-2-1-5(6)3-7(11)9(8)12/h1-4H,12H2
InChIKeyYHWPYFGRQIVHJG-UHFFFAOYSA-N
MW348.97 g/mol
LogP3.18
Rot. Bonds

About 8-bromo-6-iodoisoquinolin-7-amine

8-bromo-6-iodoisoquinolin-7-amine (PubChem CID 68760537) has the molecular formula C9H6BrIN2 and a molecular weight of 348.97 g/mol. Its IUPAC name is 8-bromo-6-iodoisoquinolin-7-amine.

Molecular Properties

Compound Name8-bromo-6-iodoisoquinolin-7-amine
PubChem CID68760537
Molecular FormulaC9H6BrIN2
Molecular Weight348.97 g/mol
Exact Mass347.88
IUPAC Name8-bromo-6-iodoisoquinolin-7-amine
SMILESNc1c(I)cc2ccncc2c1Br
InChIInChI=1S/C9H6BrIN2/c10-8-6-4-13-2-1-5(6)3-7(11)9(8)12/h1-4H,12H2
InChIKeyYHWPYFGRQIVHJG-UHFFFAOYSA-N
XLogP3.18
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.97
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-6-iodoisoquinolin-7-amine?
The IUPAC name of 8-bromo-6-iodoisoquinolin-7-amine (CID 68760537) is 8-bromo-6-iodoisoquinolin-7-amine.
What is the SMILES notation for 8-bromo-6-iodoisoquinolin-7-amine?
The canonical SMILES for 8-bromo-6-iodoisoquinolin-7-amine is Nc1c(I)cc2ccncc2c1Br.
What is the InChIKey of 8-bromo-6-iodoisoquinolin-7-amine?
The InChIKey is YHWPYFGRQIVHJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrIN2/c10-8-6-4-13-2-1-5(6)3-7(11)9(8)12/h1-4H,12H2.
What are the key properties of 8-bromo-6-iodoisoquinolin-7-amine?
8-bromo-6-iodoisoquinolin-7-amine has a molecular weight of 348.97 g/mol, XLogP of 3.18, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-6-iodoisoquinolin-7-amine is sourced from PubChem (CID 68760537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).