3-Acetyl-4,6-dichloropyridine - CAS 887573-44-6

Catalog:	BB039177
Product Name:	3-Acetyl-4,6-dichloropyridine
CAS:	887573-44-6
Synonyms:	1-(4,6-dichloro-3-pyridinyl)ethanone; 1-(4,6-dichloropyridin-3-yl)ethanone

Technical Data

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Computed Properties

IUPAC Name:	1-(4,6-dichloropyridin-3-yl)ethanone
Description:	3-Acetyl-4,6-dichloropyridine (CAS# 887573-44-6) is a useful research chemical.
Molecular Weight:	190.03
Molecular Formula:	C7H5Cl2NO
Canonical SMILES:	CC(=O)C1=CN=C(C=C1Cl)Cl
InChI:	InChI=1S/C7H5Cl2NO/c1-4(11)5-3-10-7(9)2-6(5)8/h2-3H,1H3
InChI Key:	CUSJXLAXSOGBJJ-UHFFFAOYSA-N
MDL:	MFCD03265322
LogP:	2.59100

Publication Number	Title	Priority Date
WO-2021211741-A1	Substituted pyridines for the treatment of inflammatory diseases	20200414
US-2020331909-A1	Anti-proliferative agents for treating pah	20190419
WO-2020212865-A1	Anti-proliferative agents for treating pah	20190419
TW-202104224-A	Anti-proliferative agents for treating pah	20190419
US-2020354338-A1	Tyk2 inhibitors and uses thereof	20181022

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Related Functional Groups

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[5650-34-0]
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[51493-02-8]
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[87-88-7]
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[1427004-19-0]
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[959574-98-2]
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[70199-62-1]
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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, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	163
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	188.9748192
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	188.9748192
Rotatable Bond Count:	1
Topological Polar Surface Area:	30 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1