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Methyl 6-(Bromomethyl)pyridine-2-carboxylate

Methyl 6-(Bromomethyl)pyridine-2-carboxylate - CAS 146462-25-1

Catalog:	BB010088
Product Name:	Methyl 6-(Bromomethyl)pyridine-2-carboxylate
CAS:	146462-25-1
Synonyms:	6-(bromomethyl)-2-pyridinecarboxylic acid methyl ester; methyl 6-(bromomethyl)pyridine-2-carboxylate

Technical Data

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Computed Properties

IUPAC Name:	methyl 6-(bromomethyl)pyridine-2-carboxylate
Description:	Methyl 6-(Bromomethyl)pyridine-2-carboxylate (CAS# 146462-25-1) is a useful research chemical.
Molecular Weight:	230.06
Molecular Formula:	C8H8BrNO2
Canonical SMILES:	COC(=O)C1=NC(=CC=C1)CBr
InChI:	InChI=1S/C8H8BrNO2/c1-12-8(11)7-4-2-3-6(5-9)10-7/h2-4H,5H2,1H3
InChI Key:	GLLACFRFEBEMED-UHFFFAOYSA-N
Boiling Point:	0 °C
Density:	1.533 g/cm³
MDL:	MFCD03265368
LogP:	1.76310

Publication Number	Title	Priority Date
CN-113149941-A	Ether compound and pharmaceutical application thereof in preventing and treating diabetes and metabolic syndrome	20200122
WO-2020186328-A1	Chelators and methods of making and using same	20190320
WO-2019182938-A1	Aromatic aldehydes with sustained and enhanced in vitro and in vivo pharmacologic activity to treat sickle cell disease	20180322
EP-3768264-A1	Aromatic aldehydes with sustained and enhanced in vitro and in vivo pharmacologic activity to treat sickle cell disease	20180322
US-2021002225-A1	Aromatic aldehydes with sustained and enhanced in vitro and in vivo pharmacologic activity to treat sickle cell disease	20180322

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Complexity:	163
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:	3
Topological Polar Surface Area:	39.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6