4-Acetyl-2-chloropyridine - CAS 23794-15-2

Catalog:	BB018187
Product Name:	4-Acetyl-2-chloropyridine
CAS:	23794-15-2
Synonyms:	1-(2-chloropyridin-4-yl)ethanone

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	1-(2-chloropyridin-4-yl)ethanone
Description:	4-Acetyl-2-chloropyridine (CAS# 23794-15-2) is used for the synthesis of pyrimidine derivatives as hSMG-1 inhibitors in the treatment of cancer.
Molecular Weight:	155.58
Molecular Formula:	C7H6ClNO
Canonical SMILES:	CC(=O)C1=CC(=NC=C1)Cl
InChI:	InChI=1S/C7H6ClNO/c1-5(10)6-2-3-9-7(8)4-6/h2-4H,1H3
InChI Key:	ZJCGPQZERFBGSM-UHFFFAOYSA-N
Boiling Point:	270.2 ℃ at 760 mmHg
Purity:	97.0 %
Density:	1.233 g/cm³
Appearance:	White to yellow powder
MDL:	MFCD07699406
LogP:	1.93760

Publication Number	Title	Priority Date
WO-2021097139-A1	Chiral synthesis of a tertiary alcohol	20191115
WO-2020061116-A1	Farnesoid x receptor agonists and uses thereof	20180918
WO-2020061117-A1	Farnesoid x receptor agonists and uses thereof	20180918
WO-2020061118-A1	Farnesoid x receptor agonists and uses thereof	20180918
CN-113056265-A	Farnesoin X receptor agonists and uses thereof	20180918

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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
[55441-25-3]
1-(2-Cyanophenyl)urea
[91552-11-3]
2-(3-Chlorophenyl)cyclopropanecarboxylic Acid
[2168559-63-3]
2-(6-Methyl-2-pyridyl)acetic Acid Hydrochloride
[927676-51-5]
2-(6-Bromo-3-indolyl)-2-oxoacetic Acid
[59855-96-8]
2-(Methoxymethyl)thiazole-5-carboxylic Acid

Pyridines

[1018125-51-3]
2-(6-Ethyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid
[76167-49-2]
2-(Pyridin-3-yloxy)aniline
[149463-07-0]
2-(Chloromethyl)-3-fluoropyridine Hydrochloride
[1261365-99-4]
2,5-Dichloro-6-(hydroxymethyl)pyridin-3-ol
[1202402-53-6]
2-[6-(Bromomethyl)-2-pyridyl]-2-propanol
[7356-60-7]
3-Amidinopyridine Hydrochloride

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:	1.5