3,5-Dichloro-2-methylpyrazine - CAS 89284-38-8

Catalog:	BB039411
Product Name:	3,5-Dichloro-2-methylpyrazine
CAS:	89284-38-8
Synonyms:	3,5-dichloro-2-methylpyrazine; 3,5-dichloro-2-methylpyrazine

Technical Data

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Computed Properties

IUPAC Name:	3,5-dichloro-2-methylpyrazine
Description:	3,5-Dichloro-2-methylpyrazine (CAS# 89284-38-8 ) is a useful research chemical.
Molecular Weight:	163.00
Molecular Formula:	C5H4Cl2N2
Canonical SMILES:	CC1=NC=C(N=C1Cl)Cl
InChI:	InChI=1S/C5H4Cl2N2/c1-3-5(7)9-4(6)2-8-3/h2H,1H3
InChI Key:	TYXFTSUECGCLEV-UHFFFAOYSA-N
LogP:	2.09180

Publication Number	Title	Priority Date
WO-2021070132-A1	Bi-aryl dihydroorotate dehydrogenase inhibitors	20191010
WO-2021053402-A2	Compounds	20190920
WO-2021050700-A1	Cyclooxygenase-2 inhibitors and uses thereof	20190913
WO-2021033153-A1	Pyrazolo[3,4-b]pyrazine shp2 phosphatase inhibitors	20190820
TW-202000667-A	Pharmaceutical compounds	20180302

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3,5-Dichloro-2-methylpyrazine
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[94777-52-3]
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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:	99
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	161.9751535
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	161.9751535
Rotatable Bond Count:	0
Topological Polar Surface Area:	25.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1