Methyl 5-Bromoindole-3-carboxylate - CAS 773873-77-1

Catalog:	BB035920
Product Name:	Methyl 5-Bromoindole-3-carboxylate
CAS:	773873-77-1
Synonyms:	5-bromo-1H-indole-3-carboxylic acid methyl ester; methyl 5-bromo-1H-indole-3-carboxylate

Technical Data

Patents

Computed Properties

IUPAC Name:	methyl 5-bromo-1H-indole-3-carboxylate
Description:	Methyl 5-Bromoindole-3-carboxylate (CAS# 773873-77-1) is a useful research chemical.
Molecular Weight:	254.08
Molecular Formula:	C10H8BrNO2
Canonical SMILES:	COC(=O)C1=CNC2=C1C=C(C=C2)Br
InChI:	InChI=1S/C10H8BrNO2/c1-14-10(13)8-5-12-9-3-2-6(11)4-7(8)9/h2-5,12H,1H3
InChI Key:	MFOKOKHNSVUKON-UHFFFAOYSA-N
Boiling Point:	386.2 °C at 760 mmHg
Density:	1.629 g/cm³
MDL:	MFCD06203728
LogP:	2.71700

Publication Number	Title	Priority Date
KR-20210108684-A	Novel Pim Kinase Inhibitor and Uses Thereof	20200226
WO-2021072198-A1	Oral complement factor d inhibitors	20191009
US-10695334-B2	Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors	20180816
US-2020054617-A1	Heteroaromatic Carboxamide Derivatives as Plasma Kallikrein Inhibitors	20180816
WO-2020035540-A1	Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors	20180816

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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:	3.3