Basic Information | Post buying leads | Suppliers |
Name |
5-Bromopyridine-2-boronic acid |
EINECS | N/A |
CAS No. | 652148-97-5 | Density | 1.78 g/cm3 |
PSA | 53.35000 | LogP | -0.47610 |
Solubility | N/A | Melting Point |
N/A |
Formula | C5H5BBrNO2 | Boiling Point | 334.6 °C at 760 mmHg |
Molecular Weight | 201.8137 | Flash Point | 156.2 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
5-Bromopyridine-2-boronic acid;5-Bromopyridin-2-ylboronic acid;Boronic acid, B-(5-bromo-2-pyridinyl)-; |
The IUPAC name of 5-Bromopyridine-2-boronic acid is (5-bromopyridin-2-yl)boronic acid. With the CAS registry number 652148-97-5, it is also named as Boronic acid, B-(5-bromo-2-pyridinyl)-. The product's categories are Pharmaceutical Intermediates; Pyridines. In addition, its molecular formula is C5H5BBrNO2 and its molecular weight is 201.8137.
The other characteristics of 5-Bromopyridine-2-boronic acid can be summarized as: (1)ACD/LogP: 1.12; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.1; (4)ACD/LogD (pH 7.4): 0.48; (5)ACD/BCF (pH 5.5): 4.02; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 93.11; (8)ACD/KOC (pH 7.4): 21.91; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 53.35 Å2; (13)Index of Refraction: 1.602; (14)Molar Refractivity: 38.8 cm3; (15)Molar Volume: 113 cm3; (16)Polarizability: 15.38×10-24cm3; (17)Surface Tension: 62.7 dyne/cm; (18)Density: 1.78 g/cm3; (19)Flash Point: 156.2 °C; (20)Enthalpy of Vaporization: 60.97 kJ/mol; (21)Boiling Point: 334.6 °C at 760 mmHg; (22)Vapour Pressure: 4.98E-05 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES: Brc1cnc(cc1)B(O)O
(2)InChI: InChI=1/C5H5BBrNO2/c7-4-1-2-5(6(9)10)8-3-4/h1-3,9-10H
(3)InChIKey: DTEZDGLOEZASOA-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C5H5BBrNO2/c7-4-1-2-5(6(9)10)8-3-4/h1-3,9-10H
(5)Std. InChIKey: DTEZDGLOEZASOA-UHFFFAOYSA-N