2-Chloro-3,5-dimethylpyrazine - CAS 38557-72-1

Catalog:	BB023702
Product Name:	2-Chloro-3,5-dimethylpyrazine
CAS:	38557-72-1
Synonyms:	2-chloro-3,5-dimethylpyrazine; 2-chloro-3,5-dimethylpyrazine

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Computed Properties

IUPAC Name:	2-chloro-3,5-dimethylpyrazine
Description:	2-Chloro-3,5-dimethylpyrazine (CAS# 38557-72-1) is a halogenated pyrazine, that can be used as an intermediates in chemical synthesis.
Molecular Weight:	142.59
Molecular Formula:	C6H7ClN2
Canonical SMILES:	CC1=CN=C(C(=N1)C)Cl
InChI:	InChI=1S/C6H7ClN2/c1-4-3-8-6(7)5(2)9-4/h3H,1-2H3
InChI Key:	BTGGHNHGPURMEO-UHFFFAOYSA-N
Boiling Point:	186.588 °C at 760 mmHg
Density:	1.184 g/cm³
MDL:	MFCD00126945
LogP:	1.74680

Publication Number	Title	Priority Date
WO-2021123291-A1	Oga inhibitor compounds	20191218
US-2020131156-A1	ARYLSULFONYLPYROLECARBOXAMIDE DERIVATIVES AS Kv3 POTASSIUM CHANNEL ACTIVATORS	20181030
WO-2020089262-A1	Arylsulfonylpyrolecarboxamide derivatives as kv3 potassium channel activators	20181030
CN-113056461-A	Arylsulfonyl pyrrole carboxamide derivatives as Kv3 potassium channel activators	20181030
EP-3873891-A1	Arylsulfonylpyrolecarboxamide derivatives as kv3 potassium channel activators	20181030

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Related Functional Groups

Pyrazines

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[1350925-21-1]
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[3149-28-8]
2-Methoxypyrazine
[1364663-32-0]
5-Chloro-3-(trifluoromethyl)pyrazin-2-amine
[290-37-9]
Pyrazine
[138588-41-7]
pyrazine-2-carboxamidine hydrochloride

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GHS Hazard Statement:	H302 (50%): 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:	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