2-Chloro-5-(hydroxymethyl)pyrimidine - CAS 1046816-75-4

Catalog:	BB001456
Product Name:	2-Chloro-5-(hydroxymethyl)pyrimidine
CAS:	1046816-75-4
Synonyms:	(2-chloro-5-pyrimidinyl)methanol; (2-chloropyrimidin-5-yl)methanol

Technical Data

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Computed Properties

IUPAC Name:	(2-chloropyrimidin-5-yl)methanol
Description:	2-Chloro-5-(hydroxymethyl)pyrimidine (CAS# 1046816-75-4) is a useful research chemical.
Molecular Weight:	144.56
Molecular Formula:	C5H5ClN2O
Canonical SMILES:	C1=C(C=NC(=N1)Cl)CO
InChI:	InChI=1S/C5H5ClN2O/c6-5-7-1-4(3-9)2-8-5/h1-2,9H,3H2
InChI Key:	OHMILAMAADHENX-UHFFFAOYSA-N
Storage:	Inert atmosphere, 2-8 °C
LogP:	0.62230

Publication Number	Title	Priority Date
WO-2021126693-A1	Gem-disubstituted piperidine melanocortin subtype-2 receptor (mc2r) antagonists and uses thereof	20191218
WO-2020014602-A1	Bicyclic inhibitors of histone deacetylase	20180713
TW-202019910-A	Histone deacetylase bicyclic inhibitor	20180713
AU-2019301761-A1	Bicyclic inhibitors of histone deacetylase	20180713
KR-20210031703-A	Bicyclic inhibitors of histone deacetylases	20180713

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	83
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 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.3