6-(Hydroxymethyl)isoquinoline - CAS 188861-59-8

Catalog:	BB014561
Product Name:	6-(Hydroxymethyl)isoquinoline
CAS:	188861-59-8
Synonyms:	6-isoquinolinylmethanol; isoquinolin-6-ylmethanol

Technical Data

Patents

Computed Properties

IUPAC Name:	isoquinolin-6-ylmethanol
Description:	6-(Hydroxymethyl)isoquinoline (CAS# 188861-59-8) is a starting material and useful building block of various pharmaceuticals.
Molecular Weight:	159.18
Molecular Formula:	C10H9NO
Canonical SMILES:	C1=CC2=C(C=CN=C2)C=C1CO
InChI:	InChI=1S/C10H9NO/c12-7-8-1-2-10-6-11-4-3-9(10)5-8/h1-6,12H,7H2
InChI Key:	XIRLIZNMBKEUDD-UHFFFAOYSA-N
Boiling Point:	352.3 °C at 760 mmHg
Density:	1.218 g/cm³
LogP:	1.72710

Publication Number	Title	Priority Date
WO-2021032148-A1	Aminopyrazine compounds as hpk1 inhibitor and the use thereof	20190821
CN-106831575-B	A kind of preparation method of 1- aminoisoquinoline -6- methanol	20170213
CN-109476663-A	Pyrazolo pyridine derivatives for treating cancer	20160524
AU-2012219316-A1	Substituted 6,7-dialkoxy-3-isoquinolinol derivatives as inhibitors of phosphodiesterase 10 (PDE10A)	20110218
CA-2827724-A1	Substituted 6,7-dialkoxy-3-isoquinolinol derivatives as inhibitors of phosphodiesterase 10 (pde10a)	20110218

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Complexity:	149
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	159.068413911
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	159.068413911
Rotatable Bond Count:	1
Topological Polar Surface Area:	33.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.2