Methyl 6-Bromoindole-2-carboxylate - CAS 372089-59-3

Catalog:	BB023224
Product Name:	Methyl 6-Bromoindole-2-carboxylate
CAS:	372089-59-3
Synonyms:	6-bromo-1H-indole-2-carboxylic acid methyl ester; methyl 6-bromo-1H-indole-2-carboxylate

Technical Data

Patents

Computed Properties

IUPAC Name:	methyl 6-bromo-1H-indole-2-carboxylate
Description:	Methyl 6-Bromoindole-2-carboxylate (CAS# 372089-59-3) is a useful research chemical.
Molecular Weight:	254.08
Molecular Formula:	C10H8BrNO2
Canonical SMILES:	COC(=O)C1=CC2=C(N1)C=C(C=C2)Br
InChI:	InChI=1S/C10H8BrNO2/c1-14-10(13)9-4-6-2-3-7(11)5-8(6)12-9/h2-5,12H,1H3
InChI Key:	BUMYRKNZGPXFEG-UHFFFAOYSA-N
Boiling Point:	386.2 °C at 760 mmHg
Density:	1.629 g/cm³
Appearance:	White solid
MDL:	MFCD00590200
LogP:	2.71700

Publication Number	Title	Priority Date
WO-2021107125-A1	Compound having lysophosphatidic acid receptor agonistic activity and pharmaceutical use of said compound	20191129
WO-2020167976-A1	Thieno[3,2-b] pyrrole[3,2-d]pyridazinone derivatives and their use as pkm2 derivatives for the treatment of cancer, obesity and diabetes related disorders	20190213
TW-202003513-A	Inhibitors of plasma kallikrein and uses thereof	20180313
US-2019284182-A1	Inhibitors of plasma kallikrein and uses thereof	20180313
WO-2019178129-A1	Substituted imidazopyridines as inhibitors of plasma kallikrein and uses thereof	20180313

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Complexity:	234
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	252.97384
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	252.97384
Rotatable Bond Count:	2
Topological Polar Surface Area:	42.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.1