6-(5-bromo-2-fluorophenoxy)isoquinolin-5-amine

C15H10BrFN2O — CID 106948740

IUPAC6-(5-bromo-2-fluorophenoxy)isoquinolin-5-amine
SMILESNc1c(Oc2cc(Br)ccc2F)ccc2cnccc12
InChIInChI=1S/C15H10BrFN2O/c16-10-2-3-12(17)14(7-10)20-13-4-1-9-8-19-6-5-11(9)15(13)18/h1-8H,18H2
InChIKeyHMDAFHOUYJRXNO-UHFFFAOYSA-N
MW333.16 g/mol
LogP4.51
Rot. Bonds2

About 6-(5-bromo-2-fluorophenoxy)isoquinolin-5-amine

6-(5-bromo-2-fluorophenoxy)isoquinolin-5-amine (PubChem CID 106948740) has the molecular formula C15H10BrFN2O and a molecular weight of 333.16 g/mol. Its IUPAC name is 6-(5-bromo-2-fluorophenoxy)isoquinolin-5-amine.

Molecular Properties

Compound Name6-(5-bromo-2-fluorophenoxy)isoquinolin-5-amine
PubChem CID106948740
Molecular FormulaC15H10BrFN2O
Molecular Weight333.16 g/mol
Exact Mass332.00
IUPAC Name6-(5-bromo-2-fluorophenoxy)isoquinolin-5-amine
SMILESNc1c(Oc2cc(Br)ccc2F)ccc2cnccc12
InChIInChI=1S/C15H10BrFN2O/c16-10-2-3-12(17)14(7-10)20-13-4-1-9-8-19-6-5-11(9)15(13)18/h1-8H,18H2
InChIKeyHMDAFHOUYJRXNO-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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Related Compounds

6-(4-bromo-3-fluorophenoxy)isoquinolin-5-amine
CID 106948708
6-(2,4-dichlorophenoxy)isoquinolin-5-amine
CID 106948588
4-(5-bromo-2-fluorophenoxy)-3-fluoroaniline
CID 114671642
4-(5-bromo-2-fluorophenoxy)pyridine-3-carboxylic acid
CID 114672079
3-(5-bromo-2-fluorophenoxy)pyridine-4-carbothioamide
CID 114672471
2-(5-aminoisoquinolin-6-yl)oxybenzonitrile
CID 106948597
2-(5-bromo-2-fluorophenoxy)-5-fluoroaniline
CID 114671678
5-amino-2-(5-bromo-2-fluorophenoxy)benzenesulfonamide
CID 114671687
2-(5-bromo-2-fluorophenoxy)quinolin-6-amine
CID 114671712
5-amino-2-(5-bromo-2-fluorophenoxy)benzonitrile
CID 114671689
2-(5-bromo-2-fluorophenoxy)-4-methylpyridin-3-amine
CID 114671679
6-N-(2-bromo-4-chlorophenyl)isoquinoline-5,6-diamine
CID 106948288

Frequently Asked Questions

What is the IUPAC name of 6-(5-bromo-2-fluorophenoxy)isoquinolin-5-amine?
The IUPAC name of 6-(5-bromo-2-fluorophenoxy)isoquinolin-5-amine (CID 106948740) is 6-(5-bromo-2-fluorophenoxy)isoquinolin-5-amine.
What is the SMILES notation for 6-(5-bromo-2-fluorophenoxy)isoquinolin-5-amine?
The canonical SMILES for 6-(5-bromo-2-fluorophenoxy)isoquinolin-5-amine is Nc1c(Oc2cc(Br)ccc2F)ccc2cnccc12.
What is the InChIKey of 6-(5-bromo-2-fluorophenoxy)isoquinolin-5-amine?
The InChIKey is HMDAFHOUYJRXNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrFN2O/c16-10-2-3-12(17)14(7-10)20-13-4-1-9-8-19-6-5-11(9)15(13)18/h1-8H,18H2.
What are the key properties of 6-(5-bromo-2-fluorophenoxy)isoquinolin-5-amine?
6-(5-bromo-2-fluorophenoxy)isoquinolin-5-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 6-(5-bromo-2-fluorophenoxy)isoquinolin-5-amine is sourced from PubChem (CID 106948740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).