1-(5-Chloro-3-pyridyl)ethanone - CAS 101945-85-1

Catalog:	BB000707
Product Name:	1-(5-Chloro-3-pyridyl)ethanone
CAS:	101945-85-1
Synonyms:	1-(5-chloro-3-pyridinyl)ethanone; 1-(5-chloropyridin-3-yl)ethanone

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	1-(5-chloropyridin-3-yl)ethanone
Description:	1-(5-Chloro-3-pyridyl)ethanone (CAS# 101945-85-1) is a useful research chemical.
Molecular Weight:	155.58
Molecular Formula:	C7H6ClNO
Canonical SMILES:	CC(=O)C1=CC(=CN=C1)Cl
InChI:	InChI=1S/C7H6ClNO/c1-5(10)6-2-7(8)4-9-3-6/h2-4H,1H3
InChI Key:	CHFDQPBFYDYBIJ-UHFFFAOYSA-N
MDL:	MFCD11847431
LogP:	0.00000

Publication Number	Title	Priority Date
JP-2017505318-A	Dihydropyrrolopyridine inhibitors of ROR gamma	20140203
JP-6466461-B2	Dihydropyrrolopyridine inhibitors of ROR gamma	20140203
EP-3042900-A1	Novel morpholine derivative or salt thereof	20130829
JP-6074043-B2	Novel morpholine derivative or salt thereof	20130829
JP-WO2015030057-A1	Novel morpholine derivative or salt thereof	20130829

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Related Functional Groups

Carbonyl Compounds

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[87-88-7]
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[1383427-98-2]
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[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone

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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+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	138
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	155.0137915
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	155.0137915
Rotatable Bond Count:	1
Topological Polar Surface Area:	30 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.2