5-Chloropyrazine-2-carbonitrile - CAS 36070-75-4

Catalog:	BB022853
Product Name:	5-Chloropyrazine-2-carbonitrile
CAS:	36070-75-4
Synonyms:	5-chloro-2-pyrazinecarbonitrile; 5-chloropyrazine-2-carbonitrile

Technical Data

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Computed Properties

IUPAC Name:	5-chloropyrazine-2-carbonitrile
Description:	5-Chloropyrazine-2-carbonitrile (CAS# 36070-75-4) is a useful research chemical.
Molecular Weight:	139.54
Molecular Formula:	C5H2ClN3
Canonical SMILES:	C1=C(N=CC(=N1)Cl)C#N
InChI:	InChI=1S/C5H2ClN3/c6-5-3-8-4(1-7)2-9-5/h2-3H
InChI Key:	GTYRFWMSDBGPTI-UHFFFAOYSA-N
Boiling Point:	241.552 °C at 760 mmHg
Density:	1.43 g/cm³
Appearance:	Solid
MDL:	MFCD09607700
LogP:	1.00168

Publication Number	Title	Priority Date
WO-2021123291-A1	Oga inhibitor compounds	20191218
WO-2021119236-A1	Preparation of a chk1 inhibitor compound	20191210
US-2021171543-A1	Mcl1 inhibitors	20191112
WO-2021096860-A1	Mcl1 inhibitors	20191112
WO-2021080508-A1	Method and system for synthesising compounds	20191023

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GHS Hazard Statement:	H302+H312+H332 (92.68%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
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:	138
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	138.9937248
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	138.9937248
Rotatable Bond Count:	0
Topological Polar Surface Area:	49.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.9