Methyl 2,3-Dimethylindole-5-carboxylate - CAS 21987-27-9

Catalog:	BB017245
Product Name:	Methyl 2,3-Dimethylindole-5-carboxylate
CAS:	21987-27-9
Synonyms:	2,3-dimethyl-1H-indole-5-carboxylic acid methyl ester; methyl 2,3-dimethyl-1H-indole-5-carboxylate

Technical Data

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Computed Properties

IUPAC Name:	methyl 2,3-dimethyl-1H-indole-5-carboxylate
Description:	Methyl 2,3-Dimethylindole-5-carboxylate (CAS# 21987-27-9) is a useful research chemical compound.
Molecular Weight:	203.24
Molecular Formula:	C12H13NO2
Canonical SMILES:	CC1=C(NC2=C1C=C(C=C2)C(=O)OC)C
InChI:	InChI=1S/C12H13NO2/c1-7-8(2)13-11-5-4-9(6-10(7)11)12(14)15-3/h4-6,13H,1-3H3
InChI Key:	NFVUZOSPLNRNFF-UHFFFAOYSA-N
LogP:	2.57130

Publication Number	Title	Priority Date
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
AU-2019234670-A1	Substituted imidazopyridines as inhibitors of plasma kallikrein and uses thereof	20180313
US-10730874-B2	Inhibitors of plasma kallikrein and uses thereof	20180313

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Complexity:	254
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	203.094628657
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	203.094628657
Rotatable Bond Count:	2
Topological Polar Surface Area:	42.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.7