3-Methoxypyridine - CAS 7295-76-3

Catalog:	BB034733
Product Name:	3-Methoxypyridine
CAS:	7295-76-3
Synonyms:	3-methoxypyridine

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Computed Properties

IUPAC Name:	3-methoxypyridine
Description:	3-Methoxypyridine was used in the study of structure-activity relationships of pyridines as Sir2 histone/protein deacetylase inhibitors.
Molecular Weight:	109.13
Molecular Formula:	C6H7NO
Canonical SMILES:	COC1=CN=CC=C1
InChI:	InChI=1S/C6H7NO/c1-8-6-3-2-4-7-5-6/h2-5H,1H3
InChI Key:	UMJSCPRVCHMLSP-UHFFFAOYSA-N
Boiling Point:	65 °C15 mmHg (lit.), 168 °C at 760 mmHg
Purity:	95 %
Density:	1.083 g/cm³
Appearance:	Colorless to yellow liquid
MDL:	MFCD00673022
LogP:	1.09020

Publication Number	Title	Priority Date
CN-112595797-A	Method for determining apixaban intermediate through gas chromatography	20210105
CN-112754981-A	Collagen regeneration promoting preparation and preparation method and application thereof	20201230
CN-111499566-A	Pyridine derivative compound and preparation method thereof	20200430
WO-2021185706-A1	Ethylene oligomerisation plant for producing alpha-olefins	20200319
WO-2021179274-A1	ErbB RECEPTOR INHIBITORS AS ANTI-TUMOR AGENTS	20200313

PMID	Publication Date	Title	Journal
21777010	20110825	Synthesis, in vivo occupancy, and radiolabeling of potent phosphodiesterase subtype-10 inhibitors as candidates for positron emission tomography imaging	Journal of medicinal chemistry
20439146	20101102	Development and validation of a specific and sensitive GC-FID method for the determination of impurities in 5-chlorovaleroyl chloride	Journal of pharmaceutical and biomedical analysis
18947224	20081127	Lead optimization of 4-acetylamino-2-(3,5-dimethylpyrazol-1-yl)-6-pyridylpyrimidines as A2A adenosine receptor antagonists for the treatment of Parkinson's disease	Journal of medicinal chemistry
18465765	20080101	Pyridine-catalyzed stereoselective addition of acyclic 1,2-diones to acetylenic esters: synthetic and theoretical studies of an unprecedented rearrangement	Chemistry (Weinheim an der Bergstrasse, Germany)
17957815	20071203	Reactions of sulphate radicals with substituted pyridines: a structure-reactivity correlation analysis	Chemphyschem : a European journal of chemical physics and physical chemistry

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GHS Hazard Statement:	H315 (97.62%): 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:	65.5
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	109.052763847
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	109.052763847
Rotatable Bond Count:	1
Topological Polar Surface Area:	22.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1