Methyl 4- Bromo- 7- methyl- 1H- indole- 6- carboxylate - CAS 1260382-73-7

Catalog:	BB059789
Product Name:	Methyl 4- Bromo- 7- methyl- 1H- indole- 6- carboxylate
CAS:	1260382-73-7
Synonyms:	Methyl 4-bromo-7-methyl-1H-indole-6-carboxylate; 4-Bromo-7-methyl-indole-6-carboxylic acid methyl ester; methyl4-bromo-7-methyl-1H-indole-6-carboxylate

Technical Data

IUPAC Name:	methyl 4-bromo-7-methyl-1H-indole-6-carboxylate
Description:	Methyl 4- Bromo- 7- methyl- 1H- indole- 6- carboxylate is a reagent used in the synthesis of EZH2 inhibitors which are useful in the treatment of certain cancers.
Molecular Weight:	268.11
Molecular Formula:	C11H10BrNO2
Canonical SMILES:	CC1=C2C(=C(C=C1C(=O)OC)Br)C=CN2
InChI:	InChI=1S/C11H10BrNO2/c1-6-8(11(14)15-2)5-9(12)7-3-4-13-10(6)7/h3-5,13H,1-2H3
InChI Key:	XGPWRDDPMYKYLE-UHFFFAOYSA-N
References:	Gupte, A. et al. PCT Int. Appl. (2015), WO 2015104677 A1 20150716..

Complexity:	259
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	266.98949
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	266.98949
Rotatable Bond Count:	2
Topological Polar Surface Area:	42.1Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3