5-Bromo-2-methoxyisonicotinaldehyde - CAS 936011-17-5

Catalog:	BB040978
Product Name:	5-Bromo-2-methoxyisonicotinaldehyde
CAS:	936011-17-5
Synonyms:	5-bromo-2-methoxy-4-pyridinecarboxaldehyde; 5-bromo-2-methoxypyridine-4-carbaldehyde

Technical Data

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Computed Properties

IUPAC Name:	5-bromo-2-methoxypyridine-4-carbaldehyde
Description:	5-Bromo-2-methoxyisonicotinaldehyde (CAS# 936011-17-5) is a useful research chemical.
Molecular Weight:	216.03
Molecular Formula:	C7H6BrNO2
Canonical SMILES:	COC1=NC=C(C(=C1)C=O)Br
InChI:	InChI=1S/C7H6BrNO2/c1-11-7-2-5(4-10)6(8)3-9-7/h2-4H,1H3
InChI Key:	GSHIHNCXBSQCLM-UHFFFAOYSA-N
Boiling Point:	273.596 °C at 760 mmHg
Density:	1.606 g/cm³
Storage:	Inert atmosphere, 2-8 °C
LogP:	1.66520

Publication Number	Title	Priority Date
CN-110734397-A	Synthesis method of 4- (difluoromethyl) -2-hydroxypyridine-5-sulfonyl chloride	20191202
WO-2021099284-A1	Hydro-1h-pyrrolo[1,2-a]pyrazine compounds for the treatment of autoimmune disease	20191119
EP-3789378-A1	Piperidines or piperidones substituted with urea and heteroaryl	20190906
WO-2019238616-A1	Novel heteroaryl heterocyclyl compounds for the treatment of autoimmune disease	20180612
TW-202016105-A	Novel heteroaryl heterocyclic compound for treating autoimmune diseases	20180612

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Carbonyl Compounds

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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

Complexity:	142
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	214.95819
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	214.95819
Rotatable Bond Count:	2
Topological Polar Surface Area:	39.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3