3-Pyridinecarboxylicacid, 5-borono- (9CI) supplier

Name
5-CARBOXYPYRIDINE-3-BORONIC ACID
EINECS
CAS No. 913836-03-0
Density 1.5 g/cm³
Solubility
Melting Point 226-230°C
Formula C₆H₆BNO₄
Boiling Point 486.3 °C at 760 mmHg
Molecular Weight 166.929
Flash Point 247.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms 5-borono-3-pyridinecarboxylic acid;5-Carboxypyridine-3-boronic acid;5-(dihydroxyboranyl)pyridine-3-carboxylic acid;5-Dihydroxyboronylnicotinic acid;5-Borononicotinic acid;
PSA 90.65000
LogP -1.54040

3-Pyridinecarboxylicacid, 5-borono- (9CI) Specification

The 3-Pyridinecarboxylicacid, 5-borono- (9CI), with CAS registry number 913836-03-0, belongs to the following product categories: (1)Blocks; (2)Boronic Acids; (3)Pyridines; (4)Boronic Acids & Esters; (5)Organoborons. It has the systematic name of 5-(dihydroxyboranyl)pyridine-3-carboxylic acid. And the chemical formula of this chemical is C₆H₆BNO₄.

Physical properties of 3-Pyridinecarboxylicacid, 5-borono- (9CI): (1)ACD/LogP: -0.48; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.03; (4)ACD/LogD (pH 7.4): -4.84; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 57.65 Å²; (13)Index of Refraction: 1.588; (14)Molar Refractivity: 37.36 cm³; (15)Molar Volume: 110.8 cm³; (16)Polarizability: 14.81×10^-24cm³; (17)Surface Tension: 76.3 dyne/cm; (18)Enthalpy of Vaporization: 79.2 kJ/mol; (19)Vapour Pressure: 2.86E-10 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1cncc(B(O)O)c1
(2)InChI: InChI=1/C6H6BNO4/c9-6(10)4-1-5(7(11)12)3-8-2-4/h1-3,11-12H,(H,9,10)
(3)InChIKey: XKDATYTUCBKUQZ-UHFFFAOYAV

Product Name

5-CARBOXYPYRIDINE-3-BORONIC ACID

3-Pyridinecarboxylicacid, 5-borono- (9CI) Specification

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