4-Iodo-2-methoxypyridine - CAS 98197-72-9

Catalog:	BB042123
Product Name:	4-Iodo-2-methoxypyridine
CAS:	98197-72-9
Synonyms:	4-iodo-2-methoxypyridine; 4-iodo-2-methoxypyridine

Technical Data

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Computed Properties

IUPAC Name:	4-iodo-2-methoxypyridine
Description:	4-Iodo-2-methoxypyridine (CAS# 98197-72-9) is a useful research chemical.
Molecular Weight:	235.02
Molecular Formula:	C6H6INO
Canonical SMILES:	COC1=NC=CC(=C1)I
InChI:	InChI=1S/C6H6INO/c1-9-6-4-5(7)2-3-8-6/h2-4H,1H3
InChI Key:	JWIBTPMTSDSVQR-UHFFFAOYSA-N
Boiling Point:	248.409 °C at 760 mmHg
Density:	1.826 g/cm³
Storage:	Keep in dark place, Inert atmosphere, 2-8 °C
MDL:	MFCD08277272
LogP:	1.69480

Publication Number	Title	Priority Date
WO-2021203010-A1	Pyrrolo[2,3-f]indazole and 2,4,5,10-tetrazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,11-pentaene derivatives as alpha-1-antitrypsin modulators for treating alpha-1-antitrypsin deficiency (aatd)	20200403
WO-2021071843-A1	Muscarinic acetylcholine m1 receptor antagonists	20191007
US-2021052586-A1	Compounds and methods for treating oxalate-related diseases	20190822
WO-2021035196-A1	Compounds and methods for treating oxalate-related diseases	20190822
WO-2021004467-A1	Compound as porcupine inhibitor and use thereof	20190708

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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:	234.94941
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	234.94941
Rotatable Bond Count:	1
Topological Polar Surface Area:	22.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8