Methyl 6-Amino-3-bromopyridine-2-carboxylate - CAS 178876-83-0

Catalog:	BB013510
Product Name:	Methyl 6-Amino-3-bromopyridine-2-carboxylate
CAS:	178876-83-0
Synonyms:	6-amino-3-bromo-2-pyridinecarboxylic acid methyl ester; methyl 6-amino-3-bromopyridine-2-carboxylate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	methyl 6-amino-3-bromopyridine-2-carboxylate
Description:	Methyl 6-Amino-3-bromopyridine-2-carboxylate (CAS# 178876-83-0) is a useful research chemical.
Molecular Weight:	231.05
Molecular Formula:	C7H7BrN2O2
Canonical SMILES:	COC(=O)C1=C(C=CC(=N1)N)Br
InChI:	InChI=1S/C7H7BrN2O2/c1-12-7(11)6-4(8)2-3-5(9)10-6/h2-3H,1H3,(H2,9,10)
InChI Key:	YJUKTIBOUBUOJH-UHFFFAOYSA-N
Boiling Point:	333.4 °C at 760 mmHg
Density:	1.662 g/cm³
LogP:	1.79410

Publication Number	Title	Priority Date
WO-2021174167-A1	Compounds and methods for modulating splicing	20200228
WO-2021173523-A1	Hot melt extruded solid dispersions containing a bcl2 inhibitor	20200224
US-2021228562-A1	Irak degraders and uses thereof	20191217
WO-2021127190-A1	Irak degraders and uses thereof	20191217
WO-2021066873-A1	Condensed heterocycles as bcl-2 inhibitors	20191003

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Related Functional Groups

Pyridines

[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[149463-07-0]
2-(Chloromethyl)-3-fluoropyridine Hydrochloride
[1198098-45-1]
3-Allyl-5-methyl-1H-pyrrolo[2,3-b]pyridine
[144584-32-7]
3-Bromo-2,4-dichloropyridine
[76006-14-9]
3-Chloro-1H-pyrazolo[3,4-c]pyridine
[1087659-19-5]
3-Methoxy-5-(phenylcarbamoyl)isonicotinic acid

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501
Signal Word:	Warning

Complexity:	177
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	229.96909
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	229.96909
Rotatable Bond Count:	2
Topological Polar Surface Area:	65.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4