2-Amino-6-bromopyrazine - CAS 54237-53-5

Catalog:	BB028573
Product Name:	2-Amino-6-bromopyrazine
CAS:	54237-53-5
Synonyms:	6-bromo-2-pyrazinamine; 6-bromopyrazin-2-amine

Technical Data

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Computed Properties

IUPAC Name:	6-bromopyrazin-2-amine
Description:	2-Amino-6-bromopyrazine (CAS# 54237-53-5) is a useful research chemical.
Molecular Weight:	174.00
Molecular Formula:	C4H4BrN3
Canonical SMILES:	C1=C(N=C(C=N1)Br)N
InChI:	InChI=1S/C4H4BrN3/c5-3-1-7-2-4(6)8-3/h1-2H,(H2,6,8)
InChI Key:	SBBQFRYIMUUNFT-UHFFFAOYSA-N
Boiling Point:	296.3 °C at 760 mmHg
Density:	1.844 g/cm³
Appearance:	Solid
MDL:	MFCD10697806
LogP:	1.40250

Publication Number	Title	Priority Date
WO-2021202977-A1	Pyrrolopyrimidine amines as complement inhibitors	20200403
WO-2021194914-A1	Substituted oxoisoindoline compounds for the treatment of cancer	20200323
WO-2021073439-A1	Pyrazine derivative for inhibiting shp2 activity	20191014
US-2020291014-A1	Rad51 inhibitors	20190312
WO-2020186006-A1	Rad51 inhibitors	20190312

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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:	77.7
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	172.95886
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	172.95886
Rotatable Bond Count:	0
Topological Polar Surface Area:	51.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.9