2-Methoxymethylpyridine - CAS 23579-92-2

Catalog:	BB018098
Product Name:	2-Methoxymethylpyridine
CAS:	23579-92-2
Synonyms:	2-(methoxymethyl)pyridine; 2-(methoxymethyl)pyridine

Technical Data

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Computed Properties

IUPAC Name:	2-(methoxymethyl)pyridine
Description:	2-Methoxymethylpyridine (CAS# 23579-92-2) is a useful research chemical.
Molecular Weight:	123.15
Molecular Formula:	C7H9NO
Canonical SMILES:	COCC1=CC=CC=N1
InChI:	InChI=1S/C7H9NO/c1-9-6-7-4-2-3-5-8-7/h2-5H,6H2,1H3
InChI Key:	QDTSINVSGKAPBV-UHFFFAOYSA-N
Boiling Point:	158.5 °C at 760 mmHg
Density:	1.01 g/cm³
MDL:	MFCD00030825
LogP:	1.22800

Publication Number	Title	Priority Date
WO-2021046437-A1	Rip1 inhibitory compounds and methods for making and using the same	20190906
WO-2020215267-A1	Use of ntcp inhibitors in preventing and treating hepatocarcinogenesis	20190425
WO-2020028706-A1	Heterocyclic spiro compounds and methods of use thereof for the treatment of cancer	20180801
EP-3819303-A1	Glycoside compound and preparation method therefor, composition, application, and intermediate	20180627
US-10961231-B2	NTCP inhibitors	20180413

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	75.3
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	123.068413911
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	123.068413911
Rotatable Bond Count:	2
Topological Polar Surface Area:	22.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.6