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tert-butyl 4-bromo-1H-pyrrolo[2,3-c]pyridine-1-carboxylate

tert-butyl 4-bromo-1H-pyrrolo[2,3-c]pyridine-1-carboxylate - CAS 850892-97-6

Catalog:	BB037467
Product Name:	tert-butyl 4-bromo-1H-pyrrolo[2,3-c]pyridine-1-carboxylate
CAS:	850892-97-6
Synonyms:	4-bromo-1-pyrrolo[2,3-c]pyridinecarboxylic acid tert-butyl ester; tert-butyl 4-bromopyrrolo[2,3-c]pyridine-1-carboxylate

Technical Data

Patents

Computed Properties

IUPAC Name:	tert-butyl 4-bromopyrrolo[2,3-c]pyridine-1-carboxylate
Description:	tert-butyl 4-bromo-1H-pyrrolo[2,3-c]pyridine-1-carboxylate (CAS# 850892-97-6 ) is a useful research chemical.
Molecular Weight:	297.152
Molecular Formula:	C12H13BrN2O2
Canonical SMILES:	CC(C)(C)OC(=O)N1C=CC2=C(C=NC=C21)Br
InChI:	InChI=1S/C12H13BrN2O2/c1-12(2,3)17-11(16)15-5-4-8-9(13)6-14-7-10(8)15/h4-7H,1-3H3
InChI Key:	ZHKSWKOYMANKCN-UHFFFAOYSA-N
LogP:	3.58200

Publication Number	Title	Priority Date
JP-2019516761-A	Pyridinedicarboxamide derivatives as bromodomain inhibitors	20160524
KR-20190006567-A	Pyridine Dicarboxamide Derivatives as Bromo Domain Inhibitors	20160524
US-2019202786-A1	Pyridine dicarboxamide derivatives as bromodomain inhibitors	20160524
WO-2017202742-A1	Pyridine dicarboxamide derivatives as bromodomain inhibitors	20160524
US-10844015-B2	Pyridine dicarboxamide derivatives as bromodomain inhibitors	20160524

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Complexity:	303
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	296.01604
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	296.01604
Rotatable Bond Count:	2
Topological Polar Surface Area:	44.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.9