5-(4-bromo-2-fluorophenoxy)isoquinolin-8-amine

C15H10BrFN2O — CID 43448921

IUPAC5-(4-bromo-2-fluorophenoxy)isoquinolin-8-amine
SMILESNc1ccc(Oc2ccc(Br)cc2F)c2ccncc12
InChIInChI=1S/C15H10BrFN2O/c16-9-1-3-15(12(17)7-9)20-14-4-2-13(18)11-8-19-6-5-10(11)14/h1-8H,18H2
InChIKeyBIEKETBFKBFSFX-UHFFFAOYSA-N
MW333.16 g/mol
LogP4.51
Rot. Bonds2

About 5-(4-bromo-2-fluorophenoxy)isoquinolin-8-amine

5-(4-bromo-2-fluorophenoxy)isoquinolin-8-amine (PubChem CID 43448921) has the molecular formula C15H10BrFN2O and a molecular weight of 333.16 g/mol. Its IUPAC name is 5-(4-bromo-2-fluorophenoxy)isoquinolin-8-amine.

Molecular Properties

Compound Name5-(4-bromo-2-fluorophenoxy)isoquinolin-8-amine
PubChem CID43448921
Molecular FormulaC15H10BrFN2O
Molecular Weight333.16 g/mol
Exact Mass332.00
IUPAC Name5-(4-bromo-2-fluorophenoxy)isoquinolin-8-amine
SMILESNc1ccc(Oc2ccc(Br)cc2F)c2ccncc12
InChIInChI=1S/C15H10BrFN2O/c16-9-1-3-15(12(17)7-9)20-14-4-2-13(18)11-8-19-6-5-10(11)14/h1-8H,18H2
InChIKeyBIEKETBFKBFSFX-UHFFFAOYSA-N
XLogP4.51
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.16
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(4-bromo-2-fluorophenoxy)isoquinolin-8-amine?
The IUPAC name of 5-(4-bromo-2-fluorophenoxy)isoquinolin-8-amine (CID 43448921) is 5-(4-bromo-2-fluorophenoxy)isoquinolin-8-amine.
What is the SMILES notation for 5-(4-bromo-2-fluorophenoxy)isoquinolin-8-amine?
The canonical SMILES for 5-(4-bromo-2-fluorophenoxy)isoquinolin-8-amine is Nc1ccc(Oc2ccc(Br)cc2F)c2ccncc12.
What is the InChIKey of 5-(4-bromo-2-fluorophenoxy)isoquinolin-8-amine?
The InChIKey is BIEKETBFKBFSFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrFN2O/c16-9-1-3-15(12(17)7-9)20-14-4-2-13(18)11-8-19-6-5-10(11)14/h1-8H,18H2.
What are the key properties of 5-(4-bromo-2-fluorophenoxy)isoquinolin-8-amine?
5-(4-bromo-2-fluorophenoxy)isoquinolin-8-amine has a molecular weight of 333.16 g/mol, XLogP of 4.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromo-2-fluorophenoxy)isoquinolin-8-amine is sourced from PubChem (CID 43448921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).