2-Chloro-4-ethoxypyridine - CAS 52311-50-9

Catalog:	BB027775
Product Name:	2-Chloro-4-ethoxypyridine
CAS:	52311-50-9
Synonyms:	2-chloro-4-ethoxypyridine; 2-chloro-4-ethoxypyridine

Technical Data

Patents

Computed Properties

IUPAC Name:	2-chloro-4-ethoxypyridine
Description:	2-Chloro-4-ethoxypyridine (CAS# 52311-50-9) is a useful research chemical.
Molecular Weight:	157.60
Molecular Formula:	C7H8ClNO
Canonical SMILES:	CCOC1=CC(=NC=C1)Cl
InChI:	InChI=1S/C7H8ClNO/c1-2-10-6-3-4-9-7(8)5-6/h3-5H,2H2,1H3
InChI Key:	OFHQTZYEMRJMCT-UHFFFAOYSA-N
Boiling Point:	230.9 °C at 760 mmHg
Density:	1.166 g/cm³
LogP:	2.13370

Publication Number	Title	Priority Date
WO-2020168143-A1	Substituted bicyclic compounds as farnesoid x receptor modulators	20190215
WO-2020168148-A1	Substituted bicyclic compounds as farnesoid x receptor modulators	20190215
TW-202045498-A	Substituted bicyclic compounds as farnesoid x receptor modulators	20190215
US-2021261535-A1	Substituted bicyclic compounds as farnesoid x receptor modulators	20190215
CN-109563043-A	The substituted pyridine of inhibitor as DNMT1	20160613

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Complexity:	99.6
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	157.0294416
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	157.0294416
Rotatable Bond Count:	2
Topological Polar Surface Area:	22.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2