1-Boc-5-bromo-1H-pyrazolo[3,4-b]pyridine - CAS 1299607-55-8

Catalog:	BB007032
Product Name:	1-Boc-5-bromo-1H-pyrazolo[3,4-b]pyridine
CAS:	1299607-55-8
Synonyms:	5-bromo-1-pyrazolo[3,4-b]pyridinecarboxylic acid tert-butyl ester; tert-butyl 5-bromopyrazolo[3,4-b]pyridine-1-carboxylate

Technical Data

Patents

Computed Properties

IUPAC Name:	tert-butyl 5-bromopyrazolo[3,4-b]pyridine-1-carboxylate
Description:	1-Boc-5-bromo-1H-pyrazolo[3,4-b]pyridine (CAS# 1299607-55-8) is a useful research chemical.
Molecular Weight:	298.14
Molecular Formula:	C11H12BrN3O2
Canonical SMILES:	CC(C)(C)OC(=O)N1C2=NC=C(C=C2C=N1)Br
InChI:	InChI=1S/C11H12BrN3O2/c1-11(2,3)17-10(16)15-9-7(5-14-15)4-8(12)6-13-9/h4-6H,1-3H3
InChI Key:	OJBWUSKWFSCYOG-UHFFFAOYSA-N
Storage:	Sealed in dry, 2-8 °C
MDL:	MFCD18803503
LogP:	2.97700

Publication Number	Title	Priority Date
WO-2021169762-A1	Neutral mitochondrial fluorescence marker based on nitrogen-containing heterocycle, and preparation method therefor and application thereof	20200225
CN-106536507-B	2, 3-disubstituted pyridine compounds as TGF- Î² inhibitors and methods of use thereof	20140408
EP-3129367-A1	2,3-disubstituted pyridine compounds as tgf-beta inhibitors and methods of use	20140408
EP-3129367-B1	2,3-disubstituted pyridine compounds as tgf-beta inhibitors	20140408
JP-2017515802-A	2,3-disubstituted pyridine compounds as TGF-beta inhibitors and methods of use	20140408

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Complexity:	306
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	297.01129
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	297.01129
Rotatable Bond Count:	2
Topological Polar Surface Area:	57
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.8