5-bromo-1-(5-bromo-2-fluorophenoxy)isoquinoline

C15H8Br2FNO — CID 106537014

IUPAC5-bromo-1-(5-bromo-2-fluorophenoxy)isoquinoline
SMILESFc1ccc(Br)cc1Oc1nccc2c(Br)cccc12
InChIInChI=1S/C15H8Br2FNO/c16-9-4-5-13(18)14(8-9)20-15-11-2-1-3-12(17)10(11)6-7-19-15/h1-8H
InChIKeyMHNZMRIUMKOMKQ-UHFFFAOYSA-N
MW397.04 g/mol
LogP5.69
Rot. Bonds2

About 5-bromo-1-(5-bromo-2-fluorophenoxy)isoquinoline

5-bromo-1-(5-bromo-2-fluorophenoxy)isoquinoline (PubChem CID 106537014) has the molecular formula C15H8Br2FNO and a molecular weight of 397.04 g/mol. Its IUPAC name is 5-bromo-1-(5-bromo-2-fluorophenoxy)isoquinoline.

Molecular Properties

Compound Name5-bromo-1-(5-bromo-2-fluorophenoxy)isoquinoline
PubChem CID106537014
Molecular FormulaC15H8Br2FNO
Molecular Weight397.04 g/mol
Exact Mass394.90
IUPAC Name5-bromo-1-(5-bromo-2-fluorophenoxy)isoquinoline
SMILESFc1ccc(Br)cc1Oc1nccc2c(Br)cccc12
InChIInChI=1S/C15H8Br2FNO/c16-9-4-5-13(18)14(8-9)20-15-11-2-1-3-12(17)10(11)6-7-19-15/h1-8H
InChIKeyMHNZMRIUMKOMKQ-UHFFFAOYSA-N
XLogP5.69
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.04
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-2-(5-bromo-2-fluorophenoxy)pyridine
CID 114673272
5-bromo-1-(2-bromo-4-fluorophenoxy)isoquinoline
CID 106536941
5-bromo-1-(3-bromo-5-fluorophenoxy)isoquinoline
CID 106536992
2-(5-bromoisoquinolin-1-yl)oxy-4,5-dichloroaniline
CID 107501100
2-(5-bromo-2-fluorophenoxy)-4-methylpyridin-3-amine
CID 114671679
[2-(5-bromoisoquinolin-1-yl)oxy-6-chlorophenyl]methanamine
CID 106541842
2-(5-bromoisoquinolin-1-yl)oxy-3-methylaniline
CID 106540174
1-[4-(5-bromoisoquinolin-1-yl)oxyphenyl]-N-methylmethanamine
CID 106541292
2-(5-bromo-2-fluorophenoxy)-6-fluoropyridine
CID 114672244
(1R)-1-[2-(5-bromo-2-fluorophenoxy)-4-pyridinyl]ethanamine
CID 104940722
4-(5-bromoisoquinolin-1-yl)oxybenzoic acid
CID 106541777
6-(5-bromo-2-fluorophenoxy)isoquinolin-5-amine
CID 106948740

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(5-bromo-2-fluorophenoxy)isoquinoline?
The IUPAC name of 5-bromo-1-(5-bromo-2-fluorophenoxy)isoquinoline (CID 106537014) is 5-bromo-1-(5-bromo-2-fluorophenoxy)isoquinoline.
What is the SMILES notation for 5-bromo-1-(5-bromo-2-fluorophenoxy)isoquinoline?
The canonical SMILES for 5-bromo-1-(5-bromo-2-fluorophenoxy)isoquinoline is Fc1ccc(Br)cc1Oc1nccc2c(Br)cccc12.
What is the InChIKey of 5-bromo-1-(5-bromo-2-fluorophenoxy)isoquinoline?
The InChIKey is MHNZMRIUMKOMKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8Br2FNO/c16-9-4-5-13(18)14(8-9)20-15-11-2-1-3-12(17)10(11)6-7-19-15/h1-8H.
What are the key properties of 5-bromo-1-(5-bromo-2-fluorophenoxy)isoquinoline?
5-bromo-1-(5-bromo-2-fluorophenoxy)isoquinoline has a molecular weight of 397.04 g/mol, XLogP of 5.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-(5-bromo-2-fluorophenoxy)isoquinoline is sourced from PubChem (CID 106537014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).