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2-Chloro-6-methoxy-3-quinolinecarboxaldehyde

2-Chloro-6-methoxy-3-quinolinecarboxaldehyde - CAS 73568-29-3

Name: 2-Chloro-6-methoxy-3-quinolinecarboxaldehyde
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB034869
Product Name:	2-Chloro-6-methoxy-3-quinolinecarboxaldehyde
CAS:	73568-29-3
Synonyms:	2-chloro-6-methoxyquinoline-3-carbaldehyde

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Computed Properties

IUPAC Name:	2-chloro-6-methoxyquinoline-3-carbaldehyde
Description:	2-Chloro-6-methoxy-3-quinolinecarboxaldehyde (CAS# 73568-29-3) is a useful research chemical.
Molecular Weight:	221.64
Molecular Formula:	C11H8ClNO2
Canonical SMILES:	COC1=CC2=CC(=C(N=C2C=C1)Cl)C=O
InChI:	InChI=1S/C11H8ClNO2/c1-15-9-2-3-10-7(5-9)4-8(6-14)11(12)13-10/h2-6H,1H3
InChI Key:	TZQOMBXDCIPJKW-UHFFFAOYSA-N
Boiling Point:	373.9 °C at 760 mmHg
Density:	1.348 g/cm³
Appearance:	Solid
MDL:	MFCD00160585
LogP:	2.70930

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]C15H22O5S.Na
Sulfophenyl nonanoate sodium salt
[5650-34-0]C9H8O2
Oxiran-2-yl(phenyl)methanone
[1427004-19-0]C34H39N3O10
DBCO-PEG4-NHS ester
[1018141-88-2]C17H14N4O2
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[832741-29-4]C9H11BrOS
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[70912-52-6]C10H13NO4
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-

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

Publication Number	Title	Priority Date
CN-113214182-A	Benzisothiazole compound and preparation method thereof	20210519
WO-2021045879-A1	Synthesis of deuterated aldehydes	20190903
US-2020206233-A1	Heterocyclic compounds as mutant idh inhibitors	20181231
WO-2020141439-A1	Heterocyclic compounds as mutant idh inhibitors	20181231
WO-2020074666-A1	Quinolylnitrones for the treatment and prevention of a cerebral stroke or ischaemia	20181010

PMID	Publication Date	Title	Journal
22590409	20120501	2-Chloro-3-[(E)-(hydrazin-1-yl-idene)meth-yl]-6-meth-oxy-quinoline	Acta crystallographica. Section E, Structure reports online
21578320	20091013	2-Chloro-6-methoxy-quinoline-3-carbaldehyde	Acta crystallographica. Section E, Structure reports online

Complexity:	237
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	221.0243562
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	221.0243562
Rotatable Bond Count:	2
Topological Polar Surface Area:	39.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.6