5-Carboxypyridine-3-boronic Acid - CAS 913836-03-0

Catalog:	BB040152
Product Name:	5-Carboxypyridine-3-boronic Acid
CAS:	913836-03-0
Synonyms:	5-borono-3-pyridinecarboxylic acid; 5-boronopyridine-3-carboxylic acid

Technical Data

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Computed Properties

IUPAC Name:	5-boronopyridine-3-carboxylic acid
Description:	5-Carboxypyridine-3-boronic Acid (CAS# 913836-03-0) is a useful research chemical.
Molecular Weight:	166.93
Molecular Formula:	C6H6NO4B
Canonical SMILES:	B(C1=CC(=CN=C1)C(=O)O)(O)O
InChI:	InChI=1S/C6H6BNO4/c9-6(10)4-1-5(7(11)12)3-8-2-4/h1-3,11-12H,(H,9,10)
InChI Key:	XKDATYTUCBKUQZ-UHFFFAOYSA-N
Boiling Point:	486.3 °C at 760 mmHg
Density:	1.5 g/cm³
Appearance:	White solid
LogP:	-1.54040

Publication Number	Title	Priority Date
EP-3580190-A1	In vivo stable hg-197(m) compounds, method for the production thereof and use thereof in nuclear medical diagnostics and endoradionuclide therapy (theranostics)	20170208
US-2019367537-A1	In vivo stable hg-197(m) compounds, method for the production thereof and use thereof in nuclear medical diagnostics and endoradionuclide therapy (theranostics)	20170208
WO-2018146116-A1	In vivo stable hg-197(m) compounds, method for the production thereof and use thereof in nuclear medical diagnostics and endoradionuclide therapy (theranostics)	20170208
EP-3580190-B1	In vivo stable hg-197(m) compounds, method for the production thereof and use thereof in nuclear medical diagnostics and endoradionuclide therapy (theranostics)	20170208
US-2021228748-A1	In vivo stable hg-197(m) compounds, method for the production thereof and use thereof in nuclear medical diagnostics and endoradionuclide therapy (theranostics)	20170208

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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:	175
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	167.0389878
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	167.0389878
Rotatable Bond Count:	2
Topological Polar Surface Area:	90.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0