- 2-Cyanopyridine-3-boronic acid
- 2-Cyanopyridine-3-boronic acid pinacol ester
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| Name |
2-Cyanopyridine-3-boronic acid |
EINECS | N/A |
| CAS No. | 874290-88-7 | Density | 1.34 g/cm3 |
| PSA | 77.14000 | LogP | -1.36692 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C6H5BN2O2 | Boiling Point | 433.8 °C at 760 mmHg |
| Molecular Weight | 147.929 | Flash Point | 216.2 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Boronicacid, (2-cyano-3-pyridinyl)- (9CI);2-Cyanopyridine-3-boronic acid;3-Boronopyridine-2-carbonitrile; |
2-Cyanopyridine-3-boronic acid 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
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