CAS No.652148-97-5,5-BROMOPYRIDINE-2-BORONIC ACID Suppliers

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Basic Information

Molecular Structure:
CAS No.:	652148-97-5
Name:	5-BROMOPYRIDINE-2-BORONIC ACID

Formula:	C₅H₅BBrNO₂
Molecular Weight:	201.8137
Synonyms:	5-Bromopyridine-2-boronic acid;5-Bromopyridin-2-ylboronic acid;Boronic acid, B-(5-bromo-2-pyridinyl)-;
Density:	1.78 g/cm³
Boiling Point:	334.6 °C at 760 mmHg
Flash Point:	156.2 °C
PSA:	53.35000
LogP:	-0.47610

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Specification

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