3-Chloro-2,5-dimethylpyrazine - CAS 95-89-6

Catalog:	BB041870
Product Name:	3-Chloro-2,5-dimethylpyrazine
CAS:	95-89-6
Synonyms:	3-chloro-2,5-dimethylpyrazine

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	3-chloro-2,5-dimethylpyrazine
Description:	3-Chloro-2,5-dimethylpyrazine (CAS# 95-89-6) is a useful research chemical.
Molecular Weight:	142.59
Molecular Formula:	C6H7ClN2
Canonical SMILES:	CC1=CN=C(C(=N1)Cl)C
InChI:	InChI=1S/C6H7ClN2/c1-4-3-8-5(2)6(7)9-4/h3H,1-2H3
InChI Key:	NNBALVIZMGWZHS-UHFFFAOYSA-N
Boiling Point:	186.8 °C at 760 mmHg
Purity:	> 93.0 % (GC)
Density:	1.181 g/cm³
Appearance:	Colorless to brown liquid
Storage:	Inert atmosphere, 2-8 °C
MDL:	MFCD00006143
LogP:	1.74680

Publication Number	Title	Priority Date
WO-2020230134-A1	Acss2 inhibitors and methods of use thereof	20190514
WO-2019243530-A1	Oga inhibitor compounds	20180620
AU-2019289971-A1	OGA inhibitor compounds	20180620
CN-112292381-A	OGA inhibitor compounds	20180620
EP-3810612-A1	Oga inhibitor compounds	20180620

PMID	Publication Date	Title	Journal
11558571	20010901	Effect of alkylpyrazine derivatives on the duration of pentobarbital-induced sleep, picrotoxicin-induced convulsion and gamma-aminobutyric acid (GABA) levels in the mouse brain	Biological & pharmaceutical bulletin

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Related Functional Groups

Pyrazines

[56423-63-3]
2-Bromopyrazine
[155206-39-6]
1-Methyloctahydropyrrolo[1,2-a]pyrazine
[1350925-21-1]
6-Chloropyrido[2,3-b]pyrazin-3(4H)-one
[1364663-32-0]
5-Chloro-3-(trifluoromethyl)pyrazin-2-amine
[6705-33-5]
pyrazin-2-ylmethanol
[2169539-35-7]
6-bromo-8-methoxy-[1,2,4]triazolo[1,5-a]pyrazine

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

Complexity:	97.1
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	142.0297759
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	142.0297759
Rotatable Bond Count:	0
Topological Polar Surface Area:	25.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5