3-Hydroxypyridine - CAS 109-00-2

Catalog:	BB002369
Product Name:	3-Hydroxypyridine
CAS:	109-00-2
Synonyms:	pyridin-3-ol

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Computed Properties

IUPAC Name:	pyridin-3-ol
Description:	3-Hydroxypyridine (CAS# 109-00-2) is a compound useful in organic synthesis.
Molecular Weight:	95.10
Molecular Formula:	C5H5NO
Canonical SMILES:	C1=CC(=CN=C1)O
InChI:	InChI=1S/C5H5NO/c7-5-2-1-3-6-4-5/h1-4,7H
InChI Key:	GRFNBEZIAWKNCO-UHFFFAOYSA-N
Boiling Point:	180 °C (22 torr)
Melting Point:	123-130 °C
Purity:	95 %
Density:	1.172 g/cm³
Appearance:	Yellow to brownish crystal
Storage:	Store at RT.
MDL:	MFCD00006378
LogP:	0.78720
Vapor Pressure:	0.55 [mmHg]

Publication Number	Title	Priority Date
CN-107903208-A	A kind of biaryl pyridines deubiquitination enzyme inhibitor, its preparation method and application	20161226
CN-109843326-A	Combination treatment	20161021
CN-109071565-A	Tricyclic heterocyclic derivatives	20160524
CN-109071490-A	Acyclic derivatives	20160428
CN-108779093-A	N1- (tri- fluoro- 2- hydroxy-2-methyls propionos of 3,3,3-)-piperidine derivative of inhibitor as pyruvic dehydrogenase kinase	20160329

PMID	Publication Date	Title	Journal
22976849	20121207	Aryne cycloaddition with 3-oxidopyridinium species	Organic & biomolecular chemistry
22893184	20120928	Novel ring chemistry of vitamin B6 with singlet oxygen and an activated ene: isolated products and identified intermediates suggesting an operable [3 + 2] cycloaddition	Organic & biomolecular chemistry
22897945	20120915	Synthesis and evaluation of novel 2-pyridone derivatives as inhibitors of phosphodiesterase3 (PDE3): a target for heart failure and platelet aggregation	Bioorganic & medicinal chemistry letters
22976964	20120901	Organometallic ruthenium and osmium compounds of pyridin-2- and -4-ones as potential anticancer agents	Chemistry & biodiversity
22781310	20120801	Chemoenzymatic synthesis and biological evaluation of 2- and 3-hydroxypyridine derivatives against Leishmania mexicana	Bioorganic & medicinal chemistry

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Related Functional Groups

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[1202402-53-6]
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[4926-28-7]
2-Bromo-4-methylpyridine
[63585-69-3]
2-Methyl-3-nitropyridine Hydrochloride

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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:	56
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	95.037113783
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	95.037113783
Rotatable Bond Count:	0
Topological Polar Surface Area:	33.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.5