2-Chloro-6-methylpyrazine - CAS 38557-71-0

Catalog:	BB023701
Product Name:	2-Chloro-6-methylpyrazine
CAS:	38557-71-0
Synonyms:	2-chloro-6-methylpyrazine

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-chloro-6-methylpyrazine
Description:	2-Chloro-6-methylpyrazine was used in the synthesis of palm site inhibitors of HCV NS5B polymerase and potent dipeptidyl peptidase IV inhibitors.
Molecular Weight:	128.56
Molecular Formula:	C5H5ClN2
Canonical SMILES:	CC1=CN=CC(=N1)Cl
InChI:	InChI=1S/C5H5ClN2/c1-4-2-7-3-5(6)8-4/h2-3H,1H3
InChI Key:	CKUVSPQGYLELRG-UHFFFAOYSA-N
Boiling Point:	173.612 °C at 760 mmHg
Melting Point:	48-52 °C
Purity:	98 %
Density:	1.235 g/cm³
MDL:	MFCD00055032
LogP:	1.43840

Publication Number	Title	Priority Date
WO-2021123291-A1	Oga inhibitor compounds	20191218
WO-2021094312-A1	Pyrrolidine and bicycloheteroaryl containing oga inhibitor compounds	20191111
US-2021107889-A1	2-azaspiro[3.4]octane derivatives as m4 agonists	20191009
WO-2021070090-A1	2-azaspiro[3.4]octane derivatives as m4 agonists	20191009
WO-2021050964-A1	Hpk1 antagonists and uses thereof	20190913

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GHS Hazard Statement:	H301 (20%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P310, P301+P312, P302+P352, P304+P340, P305+P351+P338, P311, P312, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	76.8
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	128.0141259
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	128.0141259
Rotatable Bond Count:	0
Topological Polar Surface Area:	25.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1