Methyl 5-Bromo-6-methoxynicotinate - CAS 93349-99-6

Catalog:	BB040855
Product Name:	Methyl 5-Bromo-6-methoxynicotinate
CAS:	93349-99-6
Synonyms:	5-bromo-6-methoxy-3-pyridinecarboxylic acid methyl ester; methyl 5-bromo-6-methoxypyridine-3-carboxylate

Technical Data

Patents

Computed Properties

IUPAC Name:	methyl 5-bromo-6-methoxypyridine-3-carboxylate
Description:	Methyl 5-Bromo-6-methoxynicotinate (CAS# 93349-99-6) is a useful research chemical.
Molecular Weight:	246.06
Molecular Formula:	C8H8BrNO3
Canonical SMILES:	COC1=C(C=C(C=N1)C(=O)OC)Br
InChI:	InChI=1S/C8H8BrNO3/c1-12-7-6(9)3-5(4-10-7)8(11)13-2/h3-4H,1-2H3
InChI Key:	UCOBYBCUAQNLBK-UHFFFAOYSA-N
Boiling Point:	275 °C
Density:	1.53 g/cm³
Storage:	Inert atmosphere, Room Temperature
LogP:	1.63930

Publication Number	Title	Priority Date
WO-2021048567-A1	New compounds and methods	20190911
WO-2020192562-A1	Substituted heterocyclic amide compound and preparation method therefor and pharmaceutical use thereof	20190322
CN-113508109-A	Substituted heterocyclic amide compound, preparation method and medical application thereof	20190322
WO-2020051099-A1	Carboxamide and sulfonamide derivatives useful as tead modulators	20180903
TW-202024023-A	Therapeutic compounds and methods of use	20180903

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Complexity:	188
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	244.96876
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	244.96876
Rotatable Bond Count:	3
Topological Polar Surface Area:	48.4
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7