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(4-Iodo-pyridin-2-yl)-carbamic acid tert-butyl ester

(4-Iodo-pyridin-2-yl)-carbamic acid tert-butyl ester - CAS 405939-28-8

Catalog:	BB024574
Product Name:	(4-Iodo-pyridin-2-yl)-carbamic acid tert-butyl ester
CAS:	405939-28-8
Synonyms:	tert-butyl N-(4-iodopyridin-2-yl)carbamate

Technical Data

Patents

Computed Properties

IUPAC Name:	tert-butyl N-(4-iodopyridin-2-yl)carbamate
Description:	(4-Iodo-pyridin-2-yl)-carbamic acid tert-butyl ester (CAS# 405939-28-8 ) is a useful research chemical.
Molecular Weight:	320.13
Molecular Formula:	C10H13IN2O2
Canonical SMILES:	CC(C)(C)OC(=O)NC1=NC=CC(=C1)I
InChI:	InChI=1S/C10H13IN2O2/c1-10(2,3)15-9(14)13-8-6-7(11)4-5-12-8/h4-6H,1-3H3,(H,12,13,14)
InChI Key:	TTYADBPTZJSAMH-UHFFFAOYSA-N
Boiling Point:	321 °C at 760 mmHg
Melting Point:	158-158.5 °C
Purity:	95 %
Density:	1.652 g/cm³
Appearance:	Solid
LogP:	3.10620

Publication Number	Title	Priority Date
AU-2012240233-A1	Benzodioxepine and benzodioxine compounds that interact with glucokinase regulatory protein for the treatment of diabetes	20110405
CA-2832286-A1	Benzodioxepine and benzodioxine compounds that interact with glucokinase regulatory protein for the treatment of diabetes	20110405
EP-2694491-A1	Benzodioxepine and benzodioxine compounds that interact with glucokinase regulatory protein for the treatment of diabetes	20110405
US-2014155415-A1	Benzodioxepine and benzodioxine compounds that interact with glucokinase regulatory protein for the treatment of diabetes	20110405
WO-2012138776-A1	Benzodioxepine and benzodioxine compounds that interact with glucokinase regulatory protein for the treatment of diabetes	20110405

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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:	2.4