Methyl 5-Bromo-4-methylpicolinate - CAS 886365-06-6

Catalog:	BB039048
Product Name:	Methyl 5-Bromo-4-methylpicolinate
CAS:	886365-06-6
Synonyms:	5-bromo-4-methyl-2-pyridinecarboxylic acid methyl ester; methyl 5-bromo-4-methylpyridine-2-carboxylate

Technical Data

Patents

Computed Properties

IUPAC Name:	methyl 5-bromo-4-methylpyridine-2-carboxylate
Description:	Methyl 5-Bromo-4-methylpicolinate (CAS# 886365-06-6) is a useful research chemical.
Molecular Weight:	230.06
Molecular Formula:	C8H8BrNO2
Canonical SMILES:	CC1=CC(=NC=C1Br)C(=O)OC
InChI:	InChI=1S/C8H8BrNO2/c1-5-3-7(8(11)12-2)10-4-6(5)9/h3-4H,1-2H3
InChI Key:	WNUFTWCRMKYPKE-UHFFFAOYSA-N
Boiling Point:	335 °C at 760 mmHg
Density:	1.692 g/cm³
MDL:	MFCD07375102
LogP:	1.93910

Publication Number	Title	Priority Date
WO-2020210366-A1	Condensed azines for ep300 or cbp modulation and indications therefor	20190409
TW-202104221-A	Compounds and methods for ep300 or cbp modulation and indications therefor	20190409
US-2021315872-A1	COMPOUNDS AND METHODS FOR EP300 or CBP MODULATION AND INDICATIONS THEREFOR	20190409
WO-2020160710-A1	Imidazo [2, 1-f] [1, 2, 4] triazin-4-amine derivatives as tlr7 agonist	20190207
TW-202045507-A	Imidazo[2,1-f][1,2,4]triazin-4-amine derivatives as tlr7 agonist	20190207

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Complexity:	174
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	228.97384
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	228.97384
Rotatable Bond Count:	2
Topological Polar Surface Area:	39.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1