5-Bromopyrazine-2-carboxylic Acid - CAS 876161-05-6

Catalog:	BB038553
Product Name:	5-Bromopyrazine-2-carboxylic Acid
CAS:	876161-05-6
Synonyms:	5-bromo-2-pyrazinecarboxylic acid; 5-bromopyrazine-2-carboxylic acid

Technical Data

Patents

Computed Properties

IUPAC Name:	5-bromopyrazine-2-carboxylic acid
Description:	5-Bromopyrazine-2-carboxylic Acid (CAS# 876161-05-6) is a useful research chemical.
Molecular Weight:	202.99
Molecular Formula:	C5H3BrN2O2
Canonical SMILES:	C1=C(N=CC(=N1)Br)C(=O)O
InChI:	InChI=1S/C5H3BrN2O2/c6-4-2-7-3(1-8-4)5(9)10/h1-2H,(H,9,10)
InChI Key:	NPJHCKULJAIWGV-UHFFFAOYSA-N
Boiling Point:	340.997 °C at 760 mmHg
Density:	1.941 g/cm³
MDL:	MFCD09909672
LogP:	0.93730

Publication Number	Title	Priority Date
CN-113149981-A	Protein degradation targeting chimera for degrading androgen receptor	20200122
WO-2021052892-A1	Piperidinyl amine compounds for the treatment of autoimmune disease	20190916
US-2020385424-A1	Cbx8 chromdomain inhibitors and the uses thereof	20190607
US-2021284691-A1	Cbx8 chromdomain inhibitors and the uses thereof	20190607
WO-2020069125-A1	Degraders of hepatitis c virus ns3/4a protein	20180928

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Complexity:	142
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	201.93779
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	201.93779
Rotatable Bond Count:	1
Topological Polar Surface Area:	63.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.7