2-(2-bromo-5-fluorophenyl)-1-isoquinolin-4-ylethanol

C17H13BrFNO — CID 104504568

IUPAC2-(2-bromo-5-fluorophenyl)-1-isoquinolin-4-ylethanol
SMILESOC(Cc1cc(F)ccc1Br)c1cncc2ccccc12
InChIInChI=1S/C17H13BrFNO/c18-16-6-5-13(19)7-12(16)8-17(21)15-10-20-9-11-3-1-2-4-14(11)15/h1-7,9-10,17,21H,8H2
InChIKeyAOYGLRMNHWSEPO-UHFFFAOYSA-N
MW346.20 g/mol
LogP4.41
Rot. Bonds3

About 2-(2-bromo-5-fluorophenyl)-1-isoquinolin-4-ylethanol

2-(2-bromo-5-fluorophenyl)-1-isoquinolin-4-ylethanol (PubChem CID 104504568) has the molecular formula C17H13BrFNO and a molecular weight of 346.20 g/mol. Its IUPAC name is 2-(2-bromo-5-fluorophenyl)-1-isoquinolin-4-ylethanol.

Molecular Properties

Compound Name2-(2-bromo-5-fluorophenyl)-1-isoquinolin-4-ylethanol
PubChem CID104504568
Molecular FormulaC17H13BrFNO
Molecular Weight346.20 g/mol
Exact Mass345.02
IUPAC Name2-(2-bromo-5-fluorophenyl)-1-isoquinolin-4-ylethanol
SMILESOC(Cc1cc(F)ccc1Br)c1cncc2ccccc12
InChIInChI=1S/C17H13BrFNO/c18-16-6-5-13(19)7-12(16)8-17(21)15-10-20-9-11-3-1-2-4-14(11)15/h1-7,9-10,17,21H,8H2
InChIKeyAOYGLRMNHWSEPO-UHFFFAOYSA-N
XLogP4.41
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.20
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-bromo-2-fluorophenyl)-isoquinolin-4-ylmethanol
CID 106644574
(3-bromo-5-fluorophenyl)-isoquinolin-4-ylmethanol
CID 66424231
2-(2-bromo-5-fluorophenyl)-1-(2,6-dimethyl-3-pyridinyl)ethanol
CID 105088408
2-(2,5-difluorophenyl)-1-naphthalen-1-ylethanol
CID 62716051
1-(2-bromo-5-fluorophenyl)-2-(3-chloro-2-fluorophenyl)ethanol
CID 102867515
2-(2-chloro-4-methylphenyl)-1-isoquinolin-4-ylethanol
CID 106866612
1-isoquinolin-4-ylpentan-1-ol
CID 63938213
1-(5-bromo-2-chlorophenyl)-2-(2-bromo-5-fluorophenyl)ethanol
CID 115787558
2-(2-chloro-5-fluorophenyl)-1-naphthalen-1-ylethanol
CID 102617231
2-(4-chlorophenyl)-1-isoquinolin-4-ylethanol
CID 63939969
1-(2-amino-5-bromophenyl)-2-(2-bromo-5-fluorophenyl)ethanol
CID 82703485
2-(2-bromo-5-fluorophenyl)-1-(2,4-dichlorophenyl)ethanol
CID 65150935

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-fluorophenyl)-1-isoquinolin-4-ylethanol?
The IUPAC name of 2-(2-bromo-5-fluorophenyl)-1-isoquinolin-4-ylethanol (CID 104504568) is 2-(2-bromo-5-fluorophenyl)-1-isoquinolin-4-ylethanol.
What is the SMILES notation for 2-(2-bromo-5-fluorophenyl)-1-isoquinolin-4-ylethanol?
The canonical SMILES for 2-(2-bromo-5-fluorophenyl)-1-isoquinolin-4-ylethanol is OC(Cc1cc(F)ccc1Br)c1cncc2ccccc12.
What is the InChIKey of 2-(2-bromo-5-fluorophenyl)-1-isoquinolin-4-ylethanol?
The InChIKey is AOYGLRMNHWSEPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrFNO/c18-16-6-5-13(19)7-12(16)8-17(21)15-10-20-9-11-3-1-2-4-14(11)15/h1-7,9-10,17,21H,8H2.
What are the key properties of 2-(2-bromo-5-fluorophenyl)-1-isoquinolin-4-ylethanol?
2-(2-bromo-5-fluorophenyl)-1-isoquinolin-4-ylethanol has a molecular weight of 346.20 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-fluorophenyl)-1-isoquinolin-4-ylethanol is sourced from PubChem (CID 104504568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).