2,6-Lutidine-α2,3-diol - CAS 42097-42-7

Catalog:	BB025043
Product Name:	2,6-Lutidine-α2,3-diol
CAS:	42097-42-7
Synonyms:	2-(hydroxymethyl)-6-methylpyridin-3-ol

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Computed Properties

IUPAC Name:	2-(hydroxymethyl)-6-methylpyridin-3-ol
Description:	2,6-Lutidine-α2,3-diol (CAS# 42097-42-7) is a useful research chemical.
Molecular Weight:	139.15
Molecular Formula:	C7H9NO2
Canonical SMILES:	CC1=NC(=C(C=C1)O)CO
InChI:	InChI=1S/C7H9NO2/c1-5-2-3-7(10)6(4-9)8-5/h2-3,9-10H,4H2,1H3
InChI Key:	PAGTXDLKXRBHFL-UHFFFAOYSA-N
Boiling Point:	367.1 °C at 760 mmHg
Density:	1.251 g/cm³
MDL:	MFCD00006350
LogP:	0.58790

Publication Number	Title	Priority Date
WO-2019081939-A1	2-AZABICYCLO [3.1.1] DERIVATIVES AS ANTAGONISTS OF OREXIN-1 AND OREXIN-2 RECEPTORS	20171025
AU-2018326734-A1	Substituted 2-azabicyclo(3.1.1)heptane and 2-azabicyclo(3.2.1)octane derivatives as orexin receptor antagonists	20170901
CA-3074059-A1	Substituted 2-azabicyclo[3.1.1]heptane and 2-azabicyclo[3.2.1]octane derivatives as orexin receptor antagonists	20170901
KR-20200066295-A	Substituted 2-azabicyclo[3.1.1]heptane and 2-azabicyclo[3.2.1]octane derivatives as orexin receptor antagonists	20170901
WO-2019043407-A1	DERIVATIVES OF 2-AZABICYCLO [3.1.1] HEPTANE AND 2-AZABICYCLO [3.2.1] OCTANE SUBSTITUTED AS OREXIN RECEPTOR ANTAGONISTS	20170901

PMID	Publication Date	Title	Journal
22065694	20110901	3-Hy-droxy-2-(hy-droxy-meth-yl)pyridinium chloride	Acta crystallographica. Section E, Structure reports online

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Related Functional Groups

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[153259-31-5]
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[1261365-99-4]
2,5-Dichloro-6-(hydroxymethyl)pyridin-3-ol
[1202402-53-6]
2-[6-(Bromomethyl)-2-pyridyl]-2-propanol

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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:	108
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	139.063328530
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	139.063328530
Rotatable Bond Count:	1
Topological Polar Surface Area:	53.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.6