3-(Boc-amino)-4-iodopyridine - CAS 154048-89-2

Catalog:	BB010969
Product Name:	3-(Boc-amino)-4-iodopyridine
CAS:	154048-89-2
Synonyms:	N-(4-iodo-3-pyridinyl)carbamic acid tert-butyl ester; tert-butyl N-(4-iodopyridin-3-yl)carbamate

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Computed Properties

IUPAC Name:	tert-butyl N-(4-iodopyridin-3-yl)carbamate
Description:	3-(Boc-amino)-4-iodopyridine (CAS# 154048-89-2) is a useful research chemical compound.
Molecular Weight:	320.13
Molecular Formula:	C10H13IN2O2
Canonical SMILES:	CC(C)(C)OC(=O)NC1=C(C=CN=C1)I
InChI:	InChI=1S/C10H13IN2O2/c1-10(2,3)15-9(14)13-8-6-12-5-4-7(8)11/h4-6H,1-3H3,(H,13,14)
InChI Key:	FUKNUVWILSPUSJ-UHFFFAOYSA-N
Boiling Point:	313.221 °C at 760 mmHg
Density:	1.652 g/cm³
LogP:	3.10620

Publication Number	Title	Priority Date
AU-2017382830-A1	Amine-substituted heterocyclic compounds as EHMT2 inhibitors and methods of use thereof	20161219
CA-3045032-A1	Amine-substituted heterocyclic compounds as ehmt2 inhibitors and methods of use thereof	20161219
EP-3555070-A1	Amine-substituted heterocyclic compounds as ehmt2 inhibitors and methods of use thereof	20161219
JP-2020504715-A	Amine-substituted heterocyclic compounds as EHMT2 inhibitors and methods of using the same	20161219
KR-20190092542-A	Amine-Substituted Heterocyclic Compounds as EHMT2 Inhibitors and Methods of Use thereof	20161219

PMID	Publication Date	Title	Journal
20809632	20101014	Rigid analogues of the α2-adrenergic blocker atipamezole: small changes, big consequences	Journal of medicinal chemistry

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Complexity:	228
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	320.00218
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	320.00218
Rotatable Bond Count:	3
Topological Polar Surface Area:	51.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1