5-Bromo-2-(tert-butyl)pyridine - CAS 39919-58-9

Catalog:	BB024202
Product Name:	5-Bromo-2-(tert-butyl)pyridine
CAS:	39919-58-9
Synonyms:	5-bromo-2-tert-butylpyridine; 5-bromo-2-tert-butylpyridine

Technical Data

Patents

Computed Properties

IUPAC Name:	5-bromo-2-tert-butylpyridine
Description:	5-Bromo-2-(tert-butyl)pyridine (CAS# 39919-58-9) is a useful research chemical.
Molecular Weight:	214.10
Molecular Formula:	C9H12BrN
Canonical SMILES:	CC(C)(C)C1=NC=C(C=C1)Br
InChI:	InChI=1S/C9H12BrN/c1-9(2,3)8-5-4-7(10)6-11-8/h4-6H,1-3H3
InChI Key:	HAJSOFXLKFWERP-UHFFFAOYSA-N
LogP:	3.14160

Publication Number	Title	Priority Date
WO-2021191384-A1	Aryl piperidines as monoacylglycerol lipase modulators	20200326
WO-2021130638-A1	Diacylglycerol kinase modulating compounds	20191224
US-2021094941-A1	Antimalarial Hexahydropyrimidine Analogues	20180406
WO-2019149657-A1	Benzyl-, (pyridin-3-yl)methyl- or (pyridin-4-yl)methyl-substituted oxadiazolopyridine derivatives as ghrelin o-acyl transferase (goat) inhibitors	20180202
AU-2019215707-A1	Benzyl-, (pyridin-3-yl)methyl- or (pyridin-4-yl)methyl-substituted oxadiazolopyridine derivatives as ghrelin O-acyl transferase (GOAT) inhibitors	20180202

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Complexity:	128
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	213.01531
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	213.01531
Rotatable Bond Count:	1
Topological Polar Surface Area:	12.9
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.3