2-Bromo-6-(2-methyl-1,3-dioxolan-2-yl)pyridine - CAS 49669-14-9

Catalog:	BB026777
Product Name:	2-Bromo-6-(2-methyl-1,3-dioxolan-2-yl)pyridine
CAS:	49669-14-9
Synonyms:	2-bromo-6-(2-methyl-1,3-dioxolan-2-yl)pyridine; 2-bromo-6-(2-methyl-1,3-dioxolan-2-yl)pyridine

Technical Data

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Computed Properties

IUPAC Name:	2-bromo-6-(2-methyl-1,3-dioxolan-2-yl)pyridine
Description:	2-Bromo-6-(2-methyl-1,3-dioxolan-2-yl)pyridine (CAS# 49669-14-9) is a useful research chemical.
Molecular Weight:	244.09
Molecular Formula:	C9H10BrNO2
Canonical SMILES:	CC1(OCCO1)C2=NC(=CC=C2)Br
InChI:	InChI=1S/C9H10BrNO2/c1-9(12-5-6-13-9)7-3-2-4-8(10)11-7/h2-4H,5-6H2,1H3
InChI Key:	ZRXWMMNBTGBCIL-UHFFFAOYSA-N
Boiling Point:	322.7 °C at 760 mmHg
Density:	1.499 g/cm³
Appearance:	Solid
LogP:	2.06360

Publication Number	Title	Priority Date
EP-2619181-A1	Novel microbiocides	20100923
US-2014309244-A1	Novel microbiocides	20100923
WO-2012038521-A1	Novel microbiocides	20100923
AU-2008337097-A1	Aminotriazole derivatives as ALX agonists	20071218
AU-2008337097-B2	Aminotriazole derivatives as ALX agonists	20071218

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Complexity:	183
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	242.98949
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	242.98949
Rotatable Bond Count:	1
Topological Polar Surface Area:	31.4
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5