2-Chloro-5-(hydroxymethyl)pyrazine - CAS 72788-94-4

Catalog:	BB034690
Product Name:	2-Chloro-5-(hydroxymethyl)pyrazine
CAS:	72788-94-4
Synonyms:	(5-chloro-2-pyrazinyl)methanol; (5-chloropyrazin-2-yl)methanol

Technical Data

Patents

Computed Properties

IUPAC Name:	(5-chloropyrazin-2-yl)methanol
Description:	2-Chloro-5-(hydroxymethyl)pyrazine (CAS# 72788-94-4) is a useful research chemical.
Molecular Weight:	144.56
Molecular Formula:	C5H5ClN2O
Canonical SMILES:	C1=C(N=CC(=N1)Cl)CO
InChI:	InChI=1S/C5H5ClN2O/c6-5-2-7-4(3-9)1-8-5/h1-2,9H,3H2
InChI Key:	YUTQYZGRAJOIJV-UHFFFAOYSA-N
Boiling Point:	255.7 °C at 760 mmHg
Density:	1.422 g/cm³
MDL:	MFCD11110224
LogP:	0.62230

Publication Number	Title	Priority Date
WO-2021126923-A1	Cd206 modulators their use and methods for preparation	20191219
WO-2020243459-A1	Thiadiazolyl derivatives as dna polymerase theta inhibitors	20190531
WO-2019099315-A1	Antidiabetic bicyclic compounds	20171116
EP-3709995-A1	Antidiabetic bicyclic compounds	20171116
US-2021094938-A1	Antidiabetic bicyclic compounds	20171116

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Complexity:	91
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	144.0090405
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	144.0090405
Rotatable Bond Count:	1
Topological Polar Surface Area:	46
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.2