Methyl 2-Amino-5-bromonicotinate - CAS 50735-34-7

Name: Methyl 2-Amino-5-bromonicotinate
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB027199
Product Name:	Methyl 2-Amino-5-bromonicotinate
CAS:	50735-34-7
Synonyms:	2-amino-5-bromo-3-pyridinecarboxylic acid methyl ester; methyl 2-amino-5-bromopyridine-3-carboxylate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	methyl 2-amino-5-bromopyridine-3-carboxylate
Description:	Methyl 2-Amino-5-bromonicotinate (CAS# 50735-34-7) is a chemical reagent used in the synthesis of pharmaceutical agents.
Molecular Weight:	231.05
Molecular Formula:	C7H7BrN2O2
Canonical SMILES:	COC(=O)C1=CC(=CN=C1N)Br
InChI:	InChI=1S/C7H7BrN2O2/c1-12-7(11)5-2-4(8)3-10-6(5)9/h2-3H,1H3,(H2,9,10)
InChI Key:	POWKBBOOIZBIRZ-UHFFFAOYSA-N
Boiling Point:	275.2 °C at 760 mmHg
Density:	1.662 g/cm³
MDL:	MFCD04117787
LogP:	1.79410

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]C23H22N2O5
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[87-88-7]C6H2Cl2O4
Chloranilic acid
[1383427-98-2]C7H13ClN2O2
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[70199-62-1]C8H10ClNO
(4-Pyridyl)acetone Hydrochloride
[1035840-45-9]C14H16N2O4
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[70912-52-6]C10H13NO4
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
WO-2021041973-A1	Perk inhibiting compounds	20190829
US-2020131180-A1	Positive allosteric modulators of the muscarinic acetylcholine receptor m1	20181024
WO-2019147782-A1	Aminopyrrolotriazines as kinase inhibitors	20180126
EP-3743430-A1	Aminopyrrolotriazines as kinase inhibitors	20180126
US-2020347071-A1	Aminopyrrolotriazines as kinase inhibitors	20180126

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:	1.6