Methyl 5-Bromo-2-chloroisonicotinate - CAS 886365-28-2

Catalog:	BB039049
Product Name:	Methyl 5-Bromo-2-chloroisonicotinate
CAS:	886365-28-2
Synonyms:	5-bromo-2-chloro-4-pyridinecarboxylic acid methyl ester; methyl 5-bromo-2-chloropyridine-4-carboxylate

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	methyl 5-bromo-2-chloropyridine-4-carboxylate
Description:	Methyl 5-Bromo-2-chloroisonicotinate (CAS# 886365-28-2) is a useful research chemical.
Molecular Weight:	250.48
Molecular Formula:	C7H5BrClNO2
Canonical SMILES:	COC(=O)C1=CC(=NC=C1Br)Cl
InChI:	InChI=1S/C7H5BrClNO2/c1-12-7(11)4-2-6(9)10-3-5(4)8/h2-3H,1H3
InChI Key:	ZGVAWYBJGMOKBV-UHFFFAOYSA-N
Boiling Point:	286.5 °C at 760 mmHg
Density:	1.684 g/cm³
MDL:	MFCD07375113
LogP:	2.28410

Publication Number	Title	Priority Date
CN-113201019-A	Organic electroluminescent material and device	20200203
KR-20210099526-A	Organic electroluminescent materials and devices	20200203
US-2021253446-A1	Organic electroluminescent materials and devices	20200203
WO-2021158481-A1	Substituted 1,1'-biphenyl compounds and methods using same	20200203
US-2021188857-A1	Sos1 inhibitors	20191220

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Related Functional Groups

Carbonyl Compounds

[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[55441-25-3]
1-(2-Cyanophenyl)urea
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[1431966-64-1]
1-{2-[(3-Methoxypropyl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone hydrochloride
[91552-11-3]
2-(3-Chlorophenyl)cyclopropanecarboxylic Acid

GHS Hazard Statement:	H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, 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