2-Bromo-3-methylpyrazine - CAS 120984-76-1

Catalog:	BB005008
Product Name:	2-Bromo-3-methylpyrazine
CAS:	120984-76-1
Synonyms:	2-bromo-3-methylpyrazine; 2-bromo-3-methylpyrazine

Technical Data

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Computed Properties

IUPAC Name:	2-bromo-3-methylpyrazine
Description:	2-Bromo-3-methylpyrazine (CAS# 120984-76-1) is a useful research chemical.
Molecular Weight:	173.01
Molecular Formula:	C5H5BrN2
Canonical SMILES:	CC1=NC=CN=C1Br
InChI:	InChI=1S/C5H5BrN2/c1-4-5(6)8-3-2-7-4/h2-3H,1H3
InChI Key:	NDBBGCAETKIKIC-UHFFFAOYSA-N
Boiling Point:	194.851 °C at 760 mmHg
Density:	1.597 g/cm³
MDL:	MFCD08705769
LogP:	1.54750

Publication Number	Title	Priority Date
WO-2021209596-A1	Therapeutic use of pleuromutilins	20200417
US-2020360353-A1	Macrocyclic azolopyridine derivatives as eed and prc2 modulators	20190315
WO-2020190754-A1	Macrocyclic azolopyridine derivatives as eed and prc2 modulators	20190315
TW-202102495-A	Macrocyclic azolopyridine derivatives as eed and prc2 modulators	20190315
US-10973805-B2	Macrocyclic azolopyridine derivatives as EED and PRC2 modulators	20190315

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[94777-52-3]
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[3149-28-8]
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GHS Hazard Statement:	H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P337+P313, P362, 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:	171.96361
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	171.96361
Rotatable Bond Count:	0
Topological Polar Surface Area:	25.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.2