(3-bromo-2-chlorophenyl)-isoquinolin-4-ylmethanol

C16H11BrClNO — CID 115797945

IUPAC(3-bromo-2-chlorophenyl)-isoquinolin-4-ylmethanol
SMILESOC(c1cccc(Br)c1Cl)c1cncc2ccccc12
InChIInChI=1S/C16H11BrClNO/c17-14-7-3-6-12(15(14)18)16(20)13-9-19-8-10-4-1-2-5-11(10)13/h1-9,16,20H
InChIKeyYYJKNQQHGXAMEU-UHFFFAOYSA-N
MW348.63 g/mol
LogP4.73
Rot. Bonds2

About (3-bromo-2-chlorophenyl)-isoquinolin-4-ylmethanol

(3-bromo-2-chlorophenyl)-isoquinolin-4-ylmethanol (PubChem CID 115797945) has the molecular formula C16H11BrClNO and a molecular weight of 348.63 g/mol. Its IUPAC name is (3-bromo-2-chlorophenyl)-isoquinolin-4-ylmethanol.

Molecular Properties

Compound Name(3-bromo-2-chlorophenyl)-isoquinolin-4-ylmethanol
PubChem CID115797945
Molecular FormulaC16H11BrClNO
Molecular Weight348.63 g/mol
Exact Mass346.97
IUPAC Name(3-bromo-2-chlorophenyl)-isoquinolin-4-ylmethanol
SMILESOC(c1cccc(Br)c1Cl)c1cncc2ccccc12
InChIInChI=1S/C16H11BrClNO/c17-14-7-3-6-12(15(14)18)16(20)13-9-19-8-10-4-1-2-5-11(10)13/h1-9,16,20H
InChIKeyYYJKNQQHGXAMEU-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

Analyze (3-bromo-2-chlorophenyl)-isoquinolin-4-ylmethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-bromo-2-fluorophenyl)-isoquinolin-4-ylmethanol
CID 106644574
(2,5-dibromothiophen-3-yl)-isoquinolin-4-ylmethanol
CID 107969656
(2,3-difluorophenyl)-isoquinolin-4-ylmethanol
CID 63939378
(S)-(2-bromophenyl)-naphthalen-1-ylmethanol
CID 94601935
(2-amino-5-bromophenyl)-isoquinolin-4-ylmethanol
CID 82703403
[(3-bromo-2-chlorophenyl)-isoquinolin-5-ylmethyl]hydrazine
CID 105303094
isoquinolin-4-yl(pyrimidin-5-yl)methanol
CID 104504669
(2-chlorophenyl)-isoquinolin-5-ylmethanol
CID 62813520
(1R)-1-isoquinolin-4-ylethanol
CID 102064621
(2,6-dimethyl-3-pyridinyl)-isoquinolin-4-ylmethanol
CID 105097633
(3-bromo-5-fluorophenyl)-isoquinolin-4-ylmethanol
CID 66424231
(3-bromo-2-chlorophenyl)-(2-chloro-5-fluorophenyl)methanol
CID 105397701

Frequently Asked Questions

What is the IUPAC name of (3-bromo-2-chlorophenyl)-isoquinolin-4-ylmethanol?
The IUPAC name of (3-bromo-2-chlorophenyl)-isoquinolin-4-ylmethanol (CID 115797945) is (3-bromo-2-chlorophenyl)-isoquinolin-4-ylmethanol.
What is the SMILES notation for (3-bromo-2-chlorophenyl)-isoquinolin-4-ylmethanol?
The canonical SMILES for (3-bromo-2-chlorophenyl)-isoquinolin-4-ylmethanol is OC(c1cccc(Br)c1Cl)c1cncc2ccccc12.
What is the InChIKey of (3-bromo-2-chlorophenyl)-isoquinolin-4-ylmethanol?
The InChIKey is YYJKNQQHGXAMEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrClNO/c17-14-7-3-6-12(15(14)18)16(20)13-9-19-8-10-4-1-2-5-11(10)13/h1-9,16,20H.
What are the key properties of (3-bromo-2-chlorophenyl)-isoquinolin-4-ylmethanol?
(3-bromo-2-chlorophenyl)-isoquinolin-4-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 (3-bromo-2-chlorophenyl)-isoquinolin-4-ylmethanol is sourced from PubChem (CID 115797945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).