5-Iodo-2-(1-pyrrolidinyl)pyridine - CAS 494771-62-9

Catalog:	BB026709
Product Name:	5-Iodo-2-(1-pyrrolidinyl)pyridine
CAS:	494771-62-9
Synonyms:	5-iodo-2-pyrrolidin-1-ylpyridine

Technical Data

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Computed Properties

IUPAC Name:	5-iodo-2-pyrrolidin-1-ylpyridine
Description:	5-Iodo-2-(1-pyrrolidinyl)pyridine (CAS# 494771-62-9) is a useful research chemical.
Molecular Weight:	274.10
Molecular Formula:	C9H11IN2
Canonical SMILES:	C1CCN(C1)C2=NC=C(C=C2)I
InChI:	InChI=1S/C9H11IN2/c10-8-3-4-9(11-7-8)12-5-1-2-6-12/h3-4,7H,1-2,5-6H2
InChI Key:	PAGIQNSDEQQUIO-UHFFFAOYSA-N
Boiling Point:	349.8 °C at 760 mmHg
Density:	1.721 g/cm³
Appearance:	Powder
MDL:	MFCD07781186
LogP:	2.35140

Publication Number	Title	Priority Date
EP-2516445-B1	Tricyclic derivatives and their pharmaceutical use and compositions	20091222
ES-2539382-T3	Tricyclic derivatives and their pharmaceutical use and compositions	20091222
EP-2493889-B1	IMIDAZO[1,2-b]PYRIDAZINE DERIVATIVES AND THEIR USE AS PDE10 INHIBITORS	20091030
AU-2009252214-A1	Benzene or thiophene derivative and use thereof as VAP-1 inhibitor	20080530
AU-2009252214-B2	Benzene or thiophene derivative and use thereof as VAP-1 inhibitor	20080530

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GHS Hazard Statement:	H302 (90.48%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	146
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	273.99670
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	273.99670
Rotatable Bond Count:	1
Topological Polar Surface Area:	16.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4