Methyl 6-Bromo-1,2-dihydro-2-oxo-1-(2-propynyl)-4-pyridineacetate (85:15% Bromo:Chloro Derivative) - CAS 141807-55-8

Catalog:	BB059901
Product Name:	Methyl 6-Bromo-1,2-dihydro-2-oxo-1-(2-propynyl)-4-pyridineacetate (85:15% Bromo:Chloro Derivative)
CAS:	141807-55-8
Synonyms:	methyl 2-(2-bromo-6-oxo-1-prop-2-ynylpyridin-4-yl)acetate; Methyl 6-Bromo-1,2-dihydro-2-oxo-1-(2-propynyl)-4-pyridineacetate (85:15% Bromo:Chloro Derivative); Methyl 2-(6-bromo-2-oxo-1-(prop-2-yn-1-yl)-1,2-dihydropyridin-4-yl)acetate; METHYL 6-BROMO-1,2-DIHYDRO-2-OXO-1-(2-PROPYNYL)-4-PYRIDINEACETATE (85:15per cent BROMO:CHLORO DERIVA

Technical Data

IUPAC Name:	methyl 2-(2-bromo-6-oxo-1-prop-2-ynylpyridin-4-yl)acetate
Description:	Methyl 6-Bromo-1,2-dihydro-2-oxo-1-(2-propynyl)-4-pyridineacetate (85:15% Bromo:Chloro Derivative) (cas# 141807-55-8 ) is a compound useful in organic synthesis.
Molecular Weight:	284.11
Molecular Formula:	C11H10BrNO3
Canonical SMILES:	COC(=O)CC1=CC(=O)N(C(=C1)Br)CC#C
InChI:	InChI=1S/C11H10BrNO3/c1-3-4-13-9(12)5-8(6-10(13)14)7-11(15)16-2/h1,5-6H,4,7H2,2H3
InChI Key:	WXPGFDMZILDKJB-UHFFFAOYSA-N
Melting Point:	103-106°C
Solubility:	Chloroform, Dichloromethane, Methanol
Appearance:	Off-White Powder
Storage:	-20°C Freezer

Complexity:	428
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	282.98441
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	282.98441
Rotatable Bond Count:	4
Topological Polar Surface Area:	46.6Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.7