(5-bromo-2-chlorophenyl)-isoquinolin-5-ylmethanol

C16H11BrClNO — CID 115794956

IUPAC(5-bromo-2-chlorophenyl)-isoquinolin-5-ylmethanol
SMILESOC(c1cc(Br)ccc1Cl)c1cccc2cnccc12
InChIInChI=1S/C16H11BrClNO/c17-11-4-5-15(18)14(8-11)16(20)13-3-1-2-10-9-19-7-6-12(10)13/h1-9,16,20H
InChIKeyCTGRIJYDPAQZBU-UHFFFAOYSA-N
MW348.63 g/mol
LogP4.73
Rot. Bonds2

About (5-bromo-2-chlorophenyl)-isoquinolin-5-ylmethanol

(5-bromo-2-chlorophenyl)-isoquinolin-5-ylmethanol (PubChem CID 115794956) has the molecular formula C16H11BrClNO and a molecular weight of 348.63 g/mol. Its IUPAC name is (5-bromo-2-chlorophenyl)-isoquinolin-5-ylmethanol.

Molecular Properties

Compound Name(5-bromo-2-chlorophenyl)-isoquinolin-5-ylmethanol
PubChem CID115794956
Molecular FormulaC16H11BrClNO
Molecular Weight348.63 g/mol
Exact Mass346.97
IUPAC Name(5-bromo-2-chlorophenyl)-isoquinolin-5-ylmethanol
SMILESOC(c1cc(Br)ccc1Cl)c1cccc2cnccc12
InChIInChI=1S/C16H11BrClNO/c17-11-4-5-15(18)14(8-11)16(20)13-3-1-2-10-9-19-7-6-12(10)13/h1-9,16,20H
InChIKeyCTGRIJYDPAQZBU-UHFFFAOYSA-N
XLogP4.73
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.63
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-chlorophenyl)-isoquinolin-5-ylmethanol
CID 62813520
(2-chloro-4-methylphenyl)-isoquinolin-5-ylmethanol
CID 106859204
(2,4-dichlorophenyl)-isoquinolin-5-ylmethanol
CID 63893316
(4-bromo-2-chlorophenyl)-isoquinolin-5-ylmethanamine
CID 115853064
(4-chloro-2-fluorophenyl)-isoquinolin-5-ylmethanol
CID 63082098
(3,5-dichloro-2-pyridinyl)-isoquinolin-5-ylmethanol
CID 79780125
(2-bromo-5-methylphenyl)-isoquinolin-5-ylmethanol
CID 115795023
(2-iodophenyl)-isoquinolin-5-ylmethanol
CID 115794969
(2-aminophenyl)-isoquinolin-5-ylmethanol
CID 64832372
(2-amino-5-fluorophenyl)-isoquinolin-5-ylmethanol
CID 82685229
(5-fluoro-2-methylphenyl)-isoquinolin-5-ylmethanol
CID 62813674
(2,3-dimethylphenyl)-isoquinolin-5-ylmethanol
CID 63894530

Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-chlorophenyl)-isoquinolin-5-ylmethanol?
The IUPAC name of (5-bromo-2-chlorophenyl)-isoquinolin-5-ylmethanol (CID 115794956) is (5-bromo-2-chlorophenyl)-isoquinolin-5-ylmethanol.
What is the SMILES notation for (5-bromo-2-chlorophenyl)-isoquinolin-5-ylmethanol?
The canonical SMILES for (5-bromo-2-chlorophenyl)-isoquinolin-5-ylmethanol is OC(c1cc(Br)ccc1Cl)c1cccc2cnccc12.
What is the InChIKey of (5-bromo-2-chlorophenyl)-isoquinolin-5-ylmethanol?
The InChIKey is CTGRIJYDPAQZBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrClNO/c17-11-4-5-15(18)14(8-11)16(20)13-3-1-2-10-9-19-7-6-12(10)13/h1-9,16,20H.
What are the key properties of (5-bromo-2-chlorophenyl)-isoquinolin-5-ylmethanol?
(5-bromo-2-chlorophenyl)-isoquinolin-5-ylmethanol has a molecular weight of 348.63 g/mol, XLogP of 4.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-chlorophenyl)-isoquinolin-5-ylmethanol is sourced from PubChem (CID 115794956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).