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Methyl 5-Bromo-3-methylpyridine-2-carboxylate

Methyl 5-Bromo-3-methylpyridine-2-carboxylate - CAS 213771-32-5

Catalog:	BB016801
Product Name:	Methyl 5-Bromo-3-methylpyridine-2-carboxylate
CAS:	213771-32-5
Synonyms:	5-bromo-3-methyl-2-pyridinecarboxylic acid methyl ester; methyl 5-bromo-3-methylpyridine-2-carboxylate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	methyl 5-bromo-3-methylpyridine-2-carboxylate
Description:	Methyl 5-Bromo-3-methylpyridine-2-carboxylate (CAS# 213771-32-5) is a useful research chemical.
Molecular Weight:	230.06
Molecular Formula:	C8H8BrNO2
Canonical SMILES:	CC1=CC(=CN=C1C(=O)OC)Br
InChI:	InChI=1S/C8H8BrNO2/c1-5-3-6(9)4-10-7(5)8(11)12-2/h3-4H,1-2H3
InChI Key:	KZPOANNAYCXMSH-UHFFFAOYSA-N
Boiling Point:	302.2 °C at 760 mmHg
Density:	1.503 g/cm³
MDL:	MFCD07375126
LogP:	1.93910

Publication Number	Title	Priority Date
WO-2021207343-A1	Malt1 inhibitors and uses thereof	20200408
WO-2021012018-A1	Inhibitor compounds	20190724
WO-2021007477-A1	Indazoles and azaindazoles as lrrk2 inhibitors	20190711
WO-2020210379-A1	Phosphatidylinositol 3-kinase inhibitors	20190410
WO-2020191261-A1	Indazoles as lrrk2 inhibitors	20190321

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	174
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	228.97384
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	228.97384
Rotatable Bond Count:	2
Topological Polar Surface Area:	39.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1