CAS No.874290-88-7,2-CYANOPYRIDIN-3-YLBORONIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	874290-88-7
Name:	2-CYANOPYRIDIN-3-YLBORONIC ACID

Formula:	C₆H₅BN₂O₂
Molecular Weight:	147.929
Synonyms:	Boronicacid, (2-cyano-3-pyridinyl)- (9CI);2-Cyanopyridine-3-boronic acid;3-Boronopyridine-2-carbonitrile;
Density:	1.34 g/cm³
Boiling Point:	433.8 °C at 760 mmHg
Flash Point:	216.2 °C
PSA:	77.14000
LogP:	-1.36692

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Specification

The systematic name of 2-Cyanopyridine-3-boronic acid is (2-cyano-3-pyridyl)boronic acid. With the CAS registry number 874290-88-7, it is also named as 3-Boronopyridine-2-carbonitrile. The product's categories are Organoborons; Pyridine; Boronic Acid. In addition, its molecular formula is C₆H₅BN₂O₂ and molecular weight is 147.93.

The other characteristics of 2-Cyanopyridine-3-boronic acid can be summarized as: (1)# of Rule of 5 Violations: 0; (2)#H bond acceptors: 4; (3)#H bond donors: 2; (4)#Freely Rotating Bonds: 3; (5)Polar Surface Area: 77.14 Å²; (6)Index of Refraction: 1.561; (7)Molar Refractivity: 35.65 cm³; (8)Molar Volume: 109.9 cm³; (9)Polarizability: 14.13×10^-24cm³; (10)Surface Tension: 67.2 dyne/cm; (11)Density: 1.34 g/cm³; (12)Flash Point: 216.2 °C; (13)Enthalpy of Vaporization: 72.71 kJ/mol; (14)Boiling Point: 433.8 °C at 760 mmHg; (15)Vapour Pressure: 2.7E-08 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: N#Cc1ncccc1B(O)O
(2)InChI: InChI=1/C6H5BN2O2/c8-4-6-5(7(10)11)2-1-3-9-6/h1-3,10-11H
(3)InChIKey: CXEXJQAXEPPQHH-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C6H5BN2O2/c8-4-6-5(7(10)11)2-1-3-9-6/h1-3,10-11H
(5)Std. InChIKey: CXEXJQAXEPPQHH-UHFFFAOYSA-N