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Methyl 5-bromo-2-oxo-1,2-dihydro-3-pyridinecarboxylate

Methyl 5-bromo-2-oxo-1,2-dihydro-3-pyridinecarboxylate - CAS 120034-05-1

Name: Methyl 5-bromo-2-oxo-1,2-dihydro-3-pyridinecarboxylate
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB054776
Product Name:	Methyl 5-bromo-2-oxo-1,2-dihydro-3-pyridinecarboxylate
CAS:	120034-05-1
Synonyms:	Methyl 5-bromo-2-hydroxynicotinate; methyl 5-bromo-2-oxo-1,2-dihydropyridine-3-carboxylate

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	methyl 5-bromo-2-oxo-1H-pyridine-3-carboxylate
Molecular Weight:	232.031
Molecular Formula:	C7H6BrNO3
Canonical SMILES:	COC(=O)C1=CC(=CNC1=O)Br
InChI:	InChI=1S/C7H6BrNO3/c1-12-7(11)5-2-4(8)3-9-6(5)10/h2-3H,1H3,(H,9,10)
InChI Key:	TXZVFXMZHYRSDN-UHFFFAOYSA-N
Boiling Point:	319.2±37.0 °C at 760 mmHg
Melting Point:	181-183°C
Purity:	97.0%
Density:	1.7±0.1 g/cm3

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Related Functional Groups

Carbonyl Compounds

[51493-02-8]C5H10ClNO
N-Methyl-N-propylcarbamoyl Chloride
[959574-98-2]C11H10N2O2
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[35153-16-3]C16H30O2
(Z)-10-Tetradecenyl Acetate
[957292-12-5]C8H10N2O2
2-(3-Cyclopropyl-1H-pyrazol-1-yl)acetic acid
[927676-51-5]C10H6BrNO3
2-(6-Bromo-3-indolyl)-2-oxoacetic Acid
[1016519-61-1]C8H10N2O2
2-(Methyl-2-pyridylamino)acetic Acid

Halides

[1106917-71-8]C8H10ClF2NO
[3-(Difluoromethoxy)phenyl]methanamine hydrochloride
[1225940-17-9]C11H9ClF3N3
1-(3-Chloro-4-methylphenyl)-3-(trifluoromethyl)pyrazole-5-ylamine
[1448610-48-7]C11H13BrO
1-(4-Bromo-3-methylphenyl)cyclobutanol
[832741-29-4]C9H11BrOS
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[2367-82-0]C6H2F4
1,2,3,5-Tetrafluorobenzene
[199114-62-0]C10H9ClN2O
2-(Chloromethyl)-3-methylquinazolin-4(3H)-one

Pyridines

[1951441-75-0]C8H13ClN2O
2-(6-Methoxypyridin-2-yl)ethan-1-amine hydrochloride
[643762-61-2]C6H4Br2FN
3-Bromo-2-(bromomethyl)-6-fluoropyridine
[1087659-19-5]C14H12N2O4
3-Methoxy-5-(phenylcarbamoyl)isonicotinic acid
[1222533-88-1]C18H25F3N2O2Si
5-(Trifluoromethyl)-1-(triisopropylsilyl)-1H-pyrrolo[2,3-b]pyridine-4-carboxylic acid
[2241983-13-9]C24H26NOD
5-[(8S,9S,13S,14S)-3-Methoxy-13-methyl-7,8,9,11,12,13,14,15-octahydro-6H-cyclopenta[a]phenanthren-17-yl]pyridine-2-D
[2411819-14-0]C11H7F3N2O2
5-(5-(trifluoromethyl)pyridin-2-yl)-1H-pyrrole-2-carboxylic acid

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	293
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:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	230.95311
Rotatable Bond Count:	2
Topological Polar Surface Area:	55.4
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.7