2-Chloro-6-methoxy-4-(trifluoromethyl)pyridine - CAS 1160994-99-9

Catalog:	BB003713
Product Name:	2-Chloro-6-methoxy-4-(trifluoromethyl)pyridine
CAS:	1160994-99-9
Synonyms:	2-chloro-6-methoxy-4-(trifluoromethyl)pyridine; 2-chloro-6-methoxy-4-(trifluoromethyl)pyridine

Technical Data

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Computed Properties

IUPAC Name:	2-chloro-6-methoxy-4-(trifluoromethyl)pyridine
Description:	2-Chloro-6-methoxy-4-(trifluoromethyl)pyridine (CAS# 1160994-99-9) is used as a reagent to synthesize pteridines, compounds that act as fungicides, insecticides and antiparasitics.
Molecular Weight:	211.57
Molecular Formula:	C7H5ClF3NO
Canonical SMILES:	COC1=NC(=CC(=C1)C(F)(F)F)Cl
InChI:	InChI=1S/C7H5ClF3NO/c1-13-6-3-4(7(9,10)11)2-5(8)12-6/h2-3H,1H3
InChI Key:	FWEFQJNETFIPKG-UHFFFAOYSA-N
Storage:	Sealed in dry, 2-8 °C
LogP:	2.76240

Publication Number	Title	Priority Date
WO-2019193062-A1	Substituted pyrrolidines and their use	20180403
US-2019367457-A1	Oxopyridine derivatives useful as aminocarboxymuconate semialdehyde decarboxylase (acmsd) inhibitors	20161230
WO-2018125983-A1	Oxopyridine derivatives useful as aminocarboxymuconate semialdehyde decarboxylase (acmsd) inhibitors	20161230
US-2021094916-A1	Oxopyridine derivatives useful as aminocarboxymuconate semialdehyde decarboxylase (acmsd) inhibitors	20161230
AU-2017339249-A1	Substituted pyrrolidines and their use in the treatment of cystic fiibrosis	20161007

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Complexity:	176
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	211.001176
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	211.001176
Rotatable Bond Count:	1
Topological Polar Surface Area:	22.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3