(2-amino-5-bromophenyl)-isoquinolin-4-ylmethanol

C16H13BrN2O — CID 82703403

IUPAC(2-amino-5-bromophenyl)-isoquinolin-4-ylmethanol
SMILESNc1ccc(Br)cc1C(O)c1cncc2ccccc12
InChIInChI=1S/C16H13BrN2O/c17-11-5-6-15(18)13(7-11)16(20)14-9-19-8-10-3-1-2-4-12(10)14/h1-9,16,20H,18H2
InChIKeyJDVIJFDBHKSSHH-UHFFFAOYSA-N
MW329.20 g/mol
LogP3.66
Rot. Bonds2

About (2-amino-5-bromophenyl)-isoquinolin-4-ylmethanol

(2-amino-5-bromophenyl)-isoquinolin-4-ylmethanol (PubChem CID 82703403) has the molecular formula C16H13BrN2O and a molecular weight of 329.20 g/mol. Its IUPAC name is (2-amino-5-bromophenyl)-isoquinolin-4-ylmethanol.

Molecular Properties

Compound Name(2-amino-5-bromophenyl)-isoquinolin-4-ylmethanol
PubChem CID82703403
Molecular FormulaC16H13BrN2O
Molecular Weight329.20 g/mol
Exact Mass328.02
IUPAC Name(2-amino-5-bromophenyl)-isoquinolin-4-ylmethanol
SMILESNc1ccc(Br)cc1C(O)c1cncc2ccccc12
InChIInChI=1S/C16H13BrN2O/c17-11-5-6-15(18)13(7-11)16(20)14-9-19-8-10-3-1-2-4-12(10)14/h1-9,16,20H,18H2
InChIKeyJDVIJFDBHKSSHH-UHFFFAOYSA-N
XLogP3.66
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.20
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(2,5-dibromothiophen-3-yl)-isoquinolin-4-ylmethanol
CID 107969656
(3-bromo-5-fluorophenyl)-isoquinolin-4-ylmethanol
CID 66424231
(2-amino-5-bromophenyl)-naphthalen-2-ylmethanol
CID 82703708
(3-bromo-2-fluorophenyl)-isoquinolin-4-ylmethanol
CID 106644574
(3-bromo-2-chlorophenyl)-isoquinolin-4-ylmethanol
CID 115797945
(2-amino-5-fluorophenyl)-isoquinolin-5-ylmethanol
CID 82685229
(2-amino-5-bromophenyl)-quinolin-8-ylmethanol
CID 82704162
isoquinolin-4-yl(pyrimidin-5-yl)methanol
CID 104504669
(2-aminophenyl)-isoquinolin-5-ylmethanol
CID 64832372
(5-bromo-2-chlorophenyl)-isoquinolin-5-ylmethanol
CID 115794956
[(4-bromo-2-methylphenyl)-isoquinolin-4-ylmethyl]hydrazine
CID 105306340
(1R)-1-isoquinolin-4-ylethanol
CID 102064621

Frequently Asked Questions

What is the IUPAC name of (2-amino-5-bromophenyl)-isoquinolin-4-ylmethanol?
The IUPAC name of (2-amino-5-bromophenyl)-isoquinolin-4-ylmethanol (CID 82703403) is (2-amino-5-bromophenyl)-isoquinolin-4-ylmethanol.
What is the SMILES notation for (2-amino-5-bromophenyl)-isoquinolin-4-ylmethanol?
The canonical SMILES for (2-amino-5-bromophenyl)-isoquinolin-4-ylmethanol is Nc1ccc(Br)cc1C(O)c1cncc2ccccc12.
What is the InChIKey of (2-amino-5-bromophenyl)-isoquinolin-4-ylmethanol?
The InChIKey is JDVIJFDBHKSSHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2O/c17-11-5-6-15(18)13(7-11)16(20)14-9-19-8-10-3-1-2-4-12(10)14/h1-9,16,20H,18H2.
What are the key properties of (2-amino-5-bromophenyl)-isoquinolin-4-ylmethanol?
(2-amino-5-bromophenyl)-isoquinolin-4-ylmethanol has a molecular weight of 329.20 g/mol, XLogP of 3.66, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-bromophenyl)-isoquinolin-4-ylmethanol is sourced from PubChem (CID 82703403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).