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tert-Butyl 3-(6-Amino-3-methyl-2-pyridyl)benzoate

tert-Butyl 3-(6-Amino-3-methyl-2-pyridyl)benzoate - CAS 1083057-14-0

Catalog:	BB002239
Product Name:	tert-Butyl 3-(6-Amino-3-methyl-2-pyridyl)benzoate
CAS:	1083057-14-0
Synonyms:	3-(6-amino-3-methyl-2-pyridinyl)benzoic acid tert-butyl ester; tert-butyl 3-(6-amino-3-methylpyridin-2-yl)benzoate

Technical Data

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Computed Properties

IUPAC Name:	tert-butyl 3-(6-amino-3-methylpyridin-2-yl)benzoate
Description:	tert-Butyl 3-(6-Amino-3-methyl-2-pyridyl)benzoate (CAS# 1083057-14-0 ) is a useful research chemical.
Molecular Weight:	284.35
Molecular Formula:	C17H20N2O2
Canonical SMILES:	CC1=C(N=C(C=C1)N)C2=CC(=CC=C2)C(=O)OC(C)(C)C
InChI:	InChI=1S/C17H20N2O2/c1-11-8-9-14(18)19-15(11)12-6-5-7-13(10-12)16(20)21-17(2,3)4/h5-10H,1-4H3,(H2,18,19)
InChI Key:	RZGNTHQZYZRDDB-UHFFFAOYSA-N
Appearance:	Powder
LogP:	3.52460

Publication Number	Title	Priority Date
WO-2020102346-A1	Methods of treatment for cystic fibrosis	20181114
EP-3880197-A1	Methods of treatment for cystic fibrosis	20181114
WO-2019191620-A1	Crystalline forms of modulators of cftr	20180330
US-2021009560-A1	Crystalline forms of modulators of cftr	20180330
TW-201938566-A	Modulator of cystic fibrosis transmembrane conductance regulator, pharmaceutical composition, therapeutic method and method of manufacturing the same	20180215

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Complexity:	364
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	284.152477885
Formal Charge:	0
Heavy Atom Count:	21
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	284.152477885
Rotatable Bond Count:	4
Topological Polar Surface Area:	65.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.4