Methyl 5-bromo-2-chloropyridine-3-carboxylate - CAS 78686-79-0

Catalog:	BB036225
Product Name:	Methyl 5-bromo-2-chloropyridine-3-carboxylate
CAS:	78686-79-0
Synonyms:	methyl 5-bromo-2-chloropyridine-3-carboxylate

Technical Data

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Computed Properties

IUPAC Name:	methyl 5-bromo-2-chloropyridine-3-carboxylate
Description:	Methyl 5-bromo-2-chloropyridine-3-carboxylate (CAS# 78686-79-0) is a useful research chemical.
Molecular Weight:	250.48
Molecular Formula:	C7H5BrClNO2
Canonical SMILES:	COC(=O)C1=CC(=CN=C1Cl)Br
InChI:	InChI=1S/C7H5BrClNO2/c1-12-7(11)5-2-4(8)3-10-6(5)9/h2-3H,1H3
InChI Key:	MOMQDEDQGJAKII-UHFFFAOYSA-N
Boiling Point:	275.6 °C at 760 mmHg
Melting Point:	50-52 °C
Purity:	98 %
Density:	1.684 g/cm³
MDL:	MFCD03844848
LogP:	2.28410

Publication Number	Title	Priority Date
CN-112778305-A	Pyridopyrimidone compounds and preparation method and application thereof	20210208
WO-2021160109-A1	Dihydronaphthyridinone compound, and preparation method therefor and medical use thereof	20200213
WO-2021154966-A1	Compounds and compositions for use in treating skin disorders	20200129
WO-2021115286-A1	Six-membered and five-membered aromatic ring derivative containing nitrogen heteroatoms which can be used as shp2 inhibitor	20191210
WO-2021043245-A1	Hydantoin derivative	20190906

PMID	Publication Date	Title	Journal
21202590	20080514	Methyl 5-bromo-2-chloro-pyridine-3-carboxyl-ate	Acta crystallographica. Section E, Structure reports online

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[17746-05-3]
Undecanoyl chloride
[70912-52-6]
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-
[1431966-64-1]
1-{2-[(3-Methoxypropyl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone hydrochloride
[957292-12-5]
2-(3-Cyclopropyl-1H-pyrazol-1-yl)acetic acid

Pyridines

[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[1951441-75-0]
2-(6-Methoxypyridin-2-yl)ethan-1-amine hydrochloride
[14993-80-7]
2-(6-Methylpyridin-2-yl)acetonitrile
[202288-73-1]
2-(Pyridin-3-ylmethoxy)aniline dihydrochloride
[76167-49-2]
2-(Pyridin-3-yloxy)aniline
[942206-23-7]
2,5-Dichloro-3-iodopyridine

GHS Hazard Statement:	H302 (95.12%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P312, P330, and P501
Signal Word:	Warning

Complexity:	179
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	248.91922
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	248.91922
Rotatable Bond Count:	2
Topological Polar Surface Area:	39.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4