5-iodoisoquinolin-1-amine

C9H7IN2 — CID 149377238

IUPAC5-iodoisoquinolin-1-amine
SMILESNc1nccc2c(I)cccc12
InChIInChI=1S/C9H7IN2/c10-8-3-1-2-7-6(8)4-5-12-9(7)11/h1-5H,(H2,11,12)
InChIKeyYKYUOGBOXCPUAZ-UHFFFAOYSA-N
MW270.07 g/mol
LogP2.42
Rot. Bonds

About 5-iodoisoquinolin-1-amine

5-iodoisoquinolin-1-amine (PubChem CID 149377238) has the molecular formula C9H7IN2 and a molecular weight of 270.07 g/mol. Its IUPAC name is 5-iodoisoquinolin-1-amine.

Molecular Properties

Compound Name5-iodoisoquinolin-1-amine
PubChem CID149377238
Molecular FormulaC9H7IN2
Molecular Weight270.07 g/mol
Exact Mass269.97
IUPAC Name5-iodoisoquinolin-1-amine
SMILESNc1nccc2c(I)cccc12
InChIInChI=1S/C9H7IN2/c10-8-3-1-2-7-6(8)4-5-12-9(7)11/h1-5H,(H2,11,12)
InChIKeyYKYUOGBOXCPUAZ-UHFFFAOYSA-N
XLogP2.42
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.07
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-iodoisoquinolin-1-amine?
The IUPAC name of 5-iodoisoquinolin-1-amine (CID 149377238) is 5-iodoisoquinolin-1-amine.
What is the SMILES notation for 5-iodoisoquinolin-1-amine?
The canonical SMILES for 5-iodoisoquinolin-1-amine is Nc1nccc2c(I)cccc12.
What is the InChIKey of 5-iodoisoquinolin-1-amine?
The InChIKey is YKYUOGBOXCPUAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7IN2/c10-8-3-1-2-7-6(8)4-5-12-9(7)11/h1-5H,(H2,11,12).
What are the key properties of 5-iodoisoquinolin-1-amine?
5-iodoisoquinolin-1-amine has a molecular weight of 270.07 g/mol, XLogP of 2.42, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodoisoquinolin-1-amine is sourced from PubChem (CID 149377238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).