2,3-Dichloro-5-(hydroxymethyl)pyridine - CAS 54127-30-9

Catalog:	BB028512
Product Name:	2,3-Dichloro-5-(hydroxymethyl)pyridine
CAS:	54127-30-9
Synonyms:	(5,6-dichloro-3-pyridinyl)methanol; (5,6-dichloropyridin-3-yl)methanol

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	(5,6-dichloropyridin-3-yl)methanol
Description:	2,3-Dichloro-5-(hydroxymethyl)pyridine (CAS# 54127-30-9) is used in the synthesis of pyridine-based histone deacetylase inhibitors.
Molecular Weight:	178.02
Molecular Formula:	C6H5Cl2NO
Canonical SMILES:	C1=C(C=NC(=C1Cl)Cl)CO
InChI:	InChI=1S/C6H5Cl2NO/c7-5-1-4(3-10)2-9-6(5)8/h1-2,10H,3H2
InChI Key:	ZOFUUOULXZPZHP-UHFFFAOYSA-N
Boiling Point:	297.7 °C at 760 mmHg
Density:	1.478 g/cm³
MDL:	MFCD00671515
LogP:	1.88070

Publication Number	Title	Priority Date
US-2020299286-A1	Benzodiazepine derivatives as rsv inhibitors	20190318
WO-2020190935-A1	Benzodiazepine derivatives as rsv inhibitors	20190318
AU-2018345221-A1	Nitrogen-containing heteroaryl compound, and pharmaceutical use thereof	20171004
CA-3074989-A1	Nitrogen-containing heteroaryl compound and pharmaceutical use thereof	20171004
CN-111148735-A	Nitrogen-containing heteroaryl compounds and pharmaceutical uses thereof	20171004

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Related Functional Groups

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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:	112
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	176.9748192
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	176.9748192
Rotatable Bond Count:	1
Topological Polar Surface Area:	33.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6