Methyl 5-Bromo-6-chloronicotinate - CAS 78686-77-8

Catalog:	BB036224
Product Name:	Methyl 5-Bromo-6-chloronicotinate
CAS:	78686-77-8
Synonyms:	5-bromo-6-chloro-3-pyridinecarboxylic acid methyl ester; methyl 5-bromo-6-chloropyridine-3-carboxylate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	methyl 5-bromo-6-chloropyridine-3-carboxylate
Description:	Methyl 5-Bromo-6-chloronicotinate can be used to treat diseases related to S1PR1.
Molecular Weight:	250.48
Molecular Formula:	C7H5BrClNO2
Canonical SMILES:	COC(=O)C1=CC(=C(N=C1)Cl)Br
InChI:	InChI=1S/C7H5BrClNO2/c1-12-7(11)4-2-5(8)6(9)10-3-4/h2-3H,1H3
InChI Key:	WINGWVOUOFMOJQ-UHFFFAOYSA-N
Boiling Point:	279.2 °C at 760 mmHg
Density:	1.684 g/cm³
MDL:	MFCD03844855
LogP:	2.28410

Publication Number	Title	Priority Date
WO-2021202775-A1	N-(heterocyclyl and heterocyclylalkyl)-3-benzylpyridin-2-amine derivatives as sstr4 agonists	20200331
WO-2021151014-A1	Pgdh inhibitors and methods of making and using	20200123
US-2021032269-A1	Sting agonist compounds and methods of use	20190802
WO-2021026009-A1	Bis-[n-((5-carbamoyl)-1h-benzo[d]imidazol-2-yl)-pyrazol-5-carboxamide] derivatives and related compounds as sting (stimulator of interferon genes) agonists for the treatment of cancer	20190802
WO-2020192562-A1	Substituted heterocyclic amide compound and preparation method therefor and pharmaceutical use thereof	20190322

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Related Functional Groups

Carbonyl Compounds

[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[55441-25-3]
1-(2-Cyanophenyl)urea
[70912-52-6]
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-

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, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, 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