2,3-Dichloroisonicotinaldehyde - CAS 884495-41-4

Catalog:	BB038878
Product Name:	2,3-Dichloroisonicotinaldehyde
CAS:	884495-41-4
Synonyms:	2,3-dichloro-4-pyridinecarboxaldehyde; 2,3-dichloropyridine-4-carbaldehyde

Technical Data

Patents

Computed Properties

IUPAC Name:	2,3-dichloropyridine-4-carbaldehyde
Description:	2,3-Dichloroisonicotinaldehyde (CAS# 884495-41-4) is used in preparation of spiroaminoindene piperidines as Shp2 phosphatase inhibitors for treatment of disorders associated with SHP2 deregulation.
Molecular Weight:	176.00
Molecular Formula:	C6H3Cl2NO
Canonical SMILES:	C1=CN=C(C(=C1C=O)Cl)Cl
InChI:	InChI=1S/C6H3Cl2NO/c7-5-4(3-10)1-2-9-6(5)8/h1-3H
InChI Key:	BSNLYVFMZPQWAJ-UHFFFAOYSA-N
Boiling Point:	239.7 °C at 760 mmHg
Density:	1.363 g/cm³
MDL:	MFCD08277282
LogP:	2.20090

Publication Number	Title	Priority Date
CN-112778276-A	Compound as SHP2 inhibitor and application thereof	20191108
WO-2021088945-A1	Compound as shp2 inhibitor and use thereof	20191108
TW-202003471-A	SHP2 phosphatase inhibitors and methods of use thereof	20180321
WO-2019183367-A1	Shp2 phosphatase inhibitors and methods of use thereof	20180321
AU-2019240299-A1	SHP2 phosphatase inhibitors and methods of use thereof	20180321

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Related Functional Groups

Carbonyl Compounds

[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
[5650-34-0]
Oxiran-2-yl(phenyl)methanone
[17746-05-3]
Undecanoyl chloride
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[956439-56-8]
1-(Carboxymethyl)-3-nitro-1H-pyrazole-5-carboxylic acid

Complexity:	131
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	174.9591691
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	174.9591691
Rotatable Bond Count:	1
Topological Polar Surface Area:	30
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9