(6-bromoisoquinolin-1-yl)hydrazine

C9H8BrN3 — CID 82062983

IUPAC(6-bromoisoquinolin-1-yl)hydrazine
SMILESNNc1nccc2cc(Br)ccc12
InChIInChI=1S/C9H8BrN3/c10-7-1-2-8-6(5-7)3-4-12-9(8)13-11/h1-5H,11H2,(H,12,13)
InChIKeyLTFAZVYLLVMIEL-UHFFFAOYSA-N
MW238.09 g/mol
LogP2.28
Rot. Bonds1

About (6-bromoisoquinolin-1-yl)hydrazine

(6-bromoisoquinolin-1-yl)hydrazine (PubChem CID 82062983) has the molecular formula C9H8BrN3 and a molecular weight of 238.09 g/mol. Its IUPAC name is (6-bromoisoquinolin-1-yl)hydrazine.

Molecular Properties

Compound Name(6-bromoisoquinolin-1-yl)hydrazine
PubChem CID82062983
Molecular FormulaC9H8BrN3
Molecular Weight238.09 g/mol
Exact Mass236.99
IUPAC Name(6-bromoisoquinolin-1-yl)hydrazine
SMILESNNc1nccc2cc(Br)ccc12
InChIInChI=1S/C9H8BrN3/c10-7-1-2-8-6(5-7)3-4-12-9(8)13-11/h1-5H,11H2,(H,12,13)
InChIKeyLTFAZVYLLVMIEL-UHFFFAOYSA-N
XLogP2.28
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.09
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6-bromoisoquinolin-1-yl)hydrazine?
The IUPAC name of (6-bromoisoquinolin-1-yl)hydrazine (CID 82062983) is (6-bromoisoquinolin-1-yl)hydrazine.
What is the SMILES notation for (6-bromoisoquinolin-1-yl)hydrazine?
The canonical SMILES for (6-bromoisoquinolin-1-yl)hydrazine is NNc1nccc2cc(Br)ccc12.
What is the InChIKey of (6-bromoisoquinolin-1-yl)hydrazine?
The InChIKey is LTFAZVYLLVMIEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrN3/c10-7-1-2-8-6(5-7)3-4-12-9(8)13-11/h1-5H,11H2,(H,12,13).
What are the key properties of (6-bromoisoquinolin-1-yl)hydrazine?
(6-bromoisoquinolin-1-yl)hydrazine has a molecular weight of 238.09 g/mol, XLogP of 2.28, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromoisoquinolin-1-yl)hydrazine is sourced from PubChem (CID 82062983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).