2-Chloro-6-(trifluoromethoxy)pyridine - CAS 1221171-70-5

Catalog:	BB005337
Product Name:	2-Chloro-6-(trifluoromethoxy)pyridine
CAS:	1221171-70-5
Synonyms:	2-chloro-6-(trifluoromethoxy)pyridine; 2-chloro-6-(trifluoromethoxy)pyridine

Technical Data

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Computed Properties

IUPAC Name:	2-chloro-6-(trifluoromethoxy)pyridine
Description:	2-Chloro-6-(trifluoromethoxy)pyridine (CAS# 1221171-70-5) is used in the synthesis of anti-HCV agents.
Molecular Weight:	197.54
Molecular Formula:	C6H3ClF3NO
Canonical SMILES:	C1=CC(=NC(=C1)Cl)OC(F)(F)F
InChI:	InChI=1S/C6H3ClF3NO/c7-4-2-1-3-5(11-4)12-6(8,9)10/h1-3H
InChI Key:	GZFNUCAMADABAO-UHFFFAOYSA-N
Storage:	Inert atmosphere, Room Temperature
MDL:	MFCD18909427
LogP:	2.63360

Publication Number	Title	Priority Date
WO-2020264499-A1	Irak degraders and uses thereof	20190628
WO-2020150626-A1	Imidazo[1,2-a]pyridinyl derivatives as irak4 inhibitors	20190118
US-2020140411-A1	2-amino-n-heteroaryl-nicotinamides as nav1.8 inhibitors	20181102
WO-2020092187-A1	2-amino-n-phenyl-nicotinamides as nav1.8 inhibitors	20181102
WO-2020092667-A1	2-amino-n-heteroaryl-nicotinamides as nav1.8 inhibitors	20181102

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GHS Hazard Statement:	H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	152
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	196.9855259
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	196.9855259
Rotatable Bond Count:	1
Topological Polar Surface Area:	22.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.4