5-Bromo-2-methoxypyridine-3-carboxylic acid - CAS 54916-66-4

Name: 5-Bromo-2-methoxypyridine-3-carboxylic acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB028860
Product Name:	5-Bromo-2-methoxypyridine-3-carboxylic acid
CAS:	54916-66-4
Synonyms:	5-bromo-2-methoxypyridine-3-carboxylic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	5-bromo-2-methoxypyridine-3-carboxylic acid
Description:	5-Bromo-2-methoxypyridine-3-carboxylic acid (CAS# 54916-66-4) is a useful research chemical.
Molecular Weight:	232.03
Molecular Formula:	C7H6BrNO3
Canonical SMILES:	COC1=NC=C(C=C1C(=O)O)Br
InChI:	InChI=1S/C7H6BrNO3/c1-12-6-5(7(10)11)2-4(8)3-9-6/h2-3H,1H3,(H,10,11)
InChI Key:	SJLXURQPRRMPIV-UHFFFAOYSA-N
Boiling Point:	324.8 °C at 760 mmHg
Melting Point:	156-158 °C
Purity:	98 %
Density:	1.713 g/cm³
Appearance:	Off-white crystalline powder
Storage:	Keep Cold
MDL:	MFCD06656771
LogP:	1.55090

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]C15H22O5S.Na
Sulfophenyl nonanoate sodium salt
[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
[51493-02-8]C5H10ClNO
N-Methyl-N-propylcarbamoyl Chloride
[70199-62-1]C8H10ClNO
(4-Pyridyl)acetone Hydrochloride
[1018141-88-2]C17H14N4O2
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[2168559-63-3]C8H10ClNO2
2-(6-Methyl-2-pyridyl)acetic Acid Hydrochloride

Pyridines

[1006443-01-1]C9H6N4O4
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[1261365-99-4]C6H5Cl2NO2
2,5-Dichloro-6-(hydroxymethyl)pyridin-3-ol
[267242-99-9]C9H10ClN
2-Chloro-4-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine
[63585-69-3]C6H7ClN2O2
2-Methyl-3-nitropyridine Hydrochloride
[1198098-45-1]C11H12N2
3-Allyl-5-methyl-1H-pyrrolo[2,3-b]pyridine
[938459-11-1]C8H13N3
N-Pyridin-3-ylpropane-1,3-diamine

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
CN-109503473-B	Synthesis method of 2-methoxy-3-amino-5-pyridine boronic acid pinacol ester and intermediate thereof	20190107
WO-2020012427-A1	Compounds and compositions for the treatment of cystic fibrosis	20180713
CA-3106438-A1	Compounds and compositions for the treatment of cystic fibrosis	20180713
EP-3820867-A1	Compounds and compositions for the treatment of cystic fibrosis	20180713
US-2021292324-A1	Compounds and compositions for the treatment of cystic fibrosis	20180713

Complexity:	176
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	230.95311
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	230.95311
Rotatable Bond Count:	2
Topological Polar Surface Area:	59.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4