Iodopyrazine - CAS 32111-21-0

Catalog:	BB021171
Product Name:	Iodopyrazine
CAS:	32111-21-0
Synonyms:	Pyrazine, 2-iodo-; Pyrazine, iodo-; 3-Iodopyrazine

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Computed Properties

IUPAC Name:	2-iodopyrazine
Molecular Weight:	205.98
Molecular Formula:	C4H3IN2
Canonical SMILES:	C1=CN=C(C=N1)I
InChI:	InChI=1S/C4H3IN2/c5-4-3-6-1-2-7-4/h1-3H
InChI Key:	OYWPFIUVDKHHGQ-UHFFFAOYSA-N
Boiling Point:	65°C at 0.4 Torr
Melting Point:	90°C (dec.)
Purity:	≥95%
Density:	2.102±0.06 g/cm3
MDL:	MFCD01319019
LogP:	1.08120

Publication Number	Title	Priority Date
JP-2021138690-A	Pharmaceuticals consisting of novel heteroaromatic amide derivatives or salts thereof	20200228
WO-2021151014-A1	Pgdh inhibitors and methods of making and using	20200123
CN-111039910-A	Photoinitiated method for synthesizing 3-aryl flavone or coumarin compound and application thereof	20191231
US-2021188874-A1	Heterocyclic compounds as delta-5 desaturase inhibitors and methods of use	20191125
US-2021221824-A1	Heterocyclic compounds as delta-5 desaturase inhibitors and methods of use	20191125

PMID	Publication Date	Title	Journal
15815992	20050606	Palladium(0)-catalyzed tandem cyclization of allenenes: direct construction of tricyclic heterocycles through aromatic C--H activation	Chemistry (Weinheim an der Bergstrasse, Germany)
12665375	20030407	Dimorphism of a new CuI coordination polymer:synthesis, crystal structures and properties of catena[CuI(2-iodopyrazine-N)] and poly[CuI(mu2-2-iodopyrazine-N,N')]	Inorganic chemistry

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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:	57.7
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	205.93410
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	205.93410
Rotatable Bond Count:	0
Topological Polar Surface Area:	25.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.5