5-Chloro-2-(hydroxymethyl)pyridine - CAS 209526-98-7

Catalog:	BB016454
Product Name:	5-Chloro-2-(hydroxymethyl)pyridine
CAS:	209526-98-7
Synonyms:	(5-chloro-2-pyridinyl)methanol; (5-chloropyridin-2-yl)methanol

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Computed Properties

IUPAC Name:	(5-chloropyridin-2-yl)methanol
Description:	5-Chloro-2-(hydroxymethyl)pyridine (CAS# 209526-98-7) is a useful research chemical.
Molecular Weight:	143.57
Molecular Formula:	C6H6ClNO
Canonical SMILES:	C1=CC(=NC=C1Cl)CO
InChI:	InChI=1S/C6H6ClNO/c7-5-1-2-6(4-9)8-3-5/h1-3,9H,4H2
InChI Key:	JJNKKECPOPWYNY-UHFFFAOYSA-N
Boiling Point:	234.9 °C at 760 mmHg
Density:	1.324 g/cm³
Appearance:	Light orange solid
MDL:	MFCD10000856
LogP:	1.22730

Publication Number	Title	Priority Date
WO-2021191380-A1	Triazolone compounds	20200326
WO-2021160127-A1	Heterocyclic glp-1 agonists	20200213
WO-2021096284-A1	Glp-1 receptor agonist and use thereof	20191115
WO-2020243459-A1	Thiadiazolyl derivatives as dna polymerase theta inhibitors	20190531
US-2020325121-A1	Glp-1r agonists and uses thereof	20190412

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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:	89.1
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	143.0137915
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	143.0137915
Rotatable Bond Count:	1
Topological Polar Surface Area:	33.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.6