5-Bromopyrimidine-2-carboxylic Acid - CAS 37131-87-6

Catalog:	BB023201
Product Name:	5-Bromopyrimidine-2-carboxylic Acid
CAS:	37131-87-6
Synonyms:	5-bromo-2-pyrimidinecarboxylic acid; 5-bromopyrimidine-2-carboxylic acid

Technical Data

Patents

Computed Properties

IUPAC Name:	5-bromopyrimidine-2-carboxylic acid
Description:	5-Bromopyrimidine-2-carboxylic Acid (CAS# 37131-87-6) is a useful research chemical.
Molecular Weight:	202.99
Molecular Formula:	C5H3BrN2O2
Canonical SMILES:	C1=C(C=NC(=N1)C(=O)O)Br
InChI:	InChI=1S/C5H3BrN2O2/c6-3-1-7-4(5(9)10)8-2-3/h1-2H,(H,9,10)
InChI Key:	XGPTXUYKEDPXCO-UHFFFAOYSA-N
Boiling Point:	419.7 °C at 760 mmHg
Density:	1.94 g/cm³
Solubility:	Slightly soluble in water.
Appearance:	Solid
MDL:	MFCD00496793
LogP:	0.93730

Publication Number	Title	Priority Date
WO-2021157684-A1	Sulfonamide or sulfinamide compound having effect of inducing brd4 protein degradation and pharmaceutical use thereof	20200206
CN-111825657-A	Dual-function chimeric heterocyclic compound for targeted degradation of androgen receptor and application thereof	20190418
WO-2020211822-A1	A class of bifunctional chimeric heterocyclic compounds for targeted degradation of androgen receptors and use thereof	20190418
CN-111269233-A	Preparation and application of imidazo aromatic ring compounds	20181205
WO-2020114465-A1	Preparation and application of heteroaromatic iminazole compound	20181205

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Complexity:	134
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:	0.8