2-(Boc-amino)-5-cyanopyridine - CAS 902837-44-9

Catalog:	BB039808
Product Name:	2-(Boc-amino)-5-cyanopyridine
CAS:	902837-44-9
Synonyms:	N-(5-cyano-2-pyridinyl)carbamic acid tert-butyl ester; tert-butyl N-(5-cyanopyridin-2-yl)carbamate

Technical Data

Patents

Computed Properties

IUPAC Name:	tert-butyl N-(5-cyanopyridin-2-yl)carbamate
Description:	2-(Boc-amino)-5-cyanopyridine (CAS# 902837-44-9 ) is a useful research chemical.
Molecular Weight:	219.24
Molecular Formula:	C11H13N3O2
Canonical SMILES:	CC(C)(C)OC(=O)NC1=NC=C(C=C1)C#N
InChI:	InChI=1S/C11H13N3O2/c1-11(2,3)16-10(15)14-9-5-4-8(6-12)7-13-9/h4-5,7H,1-3H3,(H,13,14,15)
InChI Key:	JDQQNZYKHZVLAM-UHFFFAOYSA-N
LogP:	1.72218

Publication Number	Title	Priority Date
EP-3342772-A1	Heterocyclic compound	20150825
US-10406146-B2	Heterocyclic compound	20150825
US-2018263967-A1	Heterocyclic compound	20150825
AU-2014373735-A1	Therapeutic inhibitory compounds	20131230
AU-2014373735-B2	Therapeutic inhibitory compounds	20131230

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Complexity:	300
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	219.100776666
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	219.100776666
Rotatable Bond Count:	3
Topological Polar Surface Area:	75
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5