2-Cyanopyridine-3-boronic Acid - CAS 874290-88-7

Catalog:	BB038449
Product Name:	2-Cyanopyridine-3-boronic Acid
CAS:	874290-88-7
Synonyms:	(2-cyano-3-pyridinyl)boronic acid; (2-cyanopyridin-3-yl)boronic acid

Technical Data

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Computed Properties

IUPAC Name:	(2-cyanopyridin-3-yl)boronic acid
Description:	2-Cyanopyridine-3-boronic Acid (CAS# 874290-88-7) is a useful research chemical.
Molecular Weight:	147.93
Molecular Formula:	C6H5N2O2B
Canonical SMILES:	B(C1=C(N=CC=C1)C#N)(O)O
InChI:	InChI=1S/C6H5BN2O2/c8-4-6-5(7(10)11)2-1-3-9-6/h1-3,10-11H
InChI Key:	CXEXJQAXEPPQHH-UHFFFAOYSA-N
Boiling Point:	433.8 °C at 760 mmHg
Density:	1.34 g/cm³
MDL:	MFCD08458475
LogP:	-1.36692

Publication Number	Title	Priority Date
EP-3666767-A1	Pyridazinone compound, method for preparation thereof, pharmaceutical composition thereof, and use thereof	20170810
US-2020181109-A1	Phthalazinone compound, method for preparation thereof, pharmaceutical composition thereof, and use thereof	20170810
US-11040952-B2	Phthalazinone compound, method for preparation thereof, pharmaceutical composition thereof, and use thereof	20170810
TW-201920165-A	Nitrogen-based compound as a histone methyltransferase inhibitor	20170609
AU-2017263283-A1	Modulators of indoleamine 2,3-dioxygenase	20160512

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Complexity:	177
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	148.0444076
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	148.0444076
Rotatable Bond Count:	1
Topological Polar Surface Area:	77.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0