6,6'-Dihydroxy-3,3'-bipyridine supplier

Name
6,6'-Dihydroxy-3,3'-bipyridine
EINECS
CAS No. 142929-10-0
Article Data1
CAS DataBase
Density 1.363 g/cm³
Solubility
Melting Point
Formula C₁₀H₈N₂O₂
Boiling Point 542.1 °C at 760 mmHg
Molecular Weight 188.186
Flash Point 281.7 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 6,6'-Dihydroxy-3,3'-bipyridine;
PSA 66.24000
LogP 1.55480

6,6'-Dihydroxy-3,3'-bipyridine Specification

The systematic name of 6,6'-Dihydroxy-3,3'-bipyridine is 3,3'-bipyridine-6,6'-diol. With the CAS registry number 142929-10-0, it is also named as [3,3'-Bipyridine]-6,6'(1H,1'H)-dione. In addition, its molecular formula is C₁₀H₈N₂O₂ and molecular weight is 188.18.

The other characteristics of 6,6'-Dihydroxy-3,3'-bipyridine can be summarized as: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 4; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 66.24 Å²; (10)Index of Refraction: 1.657; (11)Molar Refractivity: 50.79 cm³; (12)Molar Volume: 138 cm³; (13)Polarizability: 20.13×10^-24cm³; (14)Surface Tension: 69.7 dyne/cm; (15)Density: 1.363 g/cm³; (16)Flash Point: 281.7 °C; (17)Enthalpy of Vaporization: 85.09 kJ/mol; (18)Boiling Point: 542.1 °C at 760 mmHg; (19)Vapour Pressure: 2.3E-12 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: Oc1ccc(cn1)c2cnc(O)cc2
(2)InChI: InChI=1/C10H8N2O2/c13-9-3-1-7(5-11-9)8-2-4-10(14)12-6-8/h1-6H,(H,11,13)(H,12,14)
(3)InChIKey: NPOJSRFZNPCHGN-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C10H8N2O2/c13-9-3-1-7(5-11-9)8-2-4-10(14)12-6-8/h1-6H,(H,11,13)(H,12,14)
(5)Std. InChIKey: NPOJSRFZNPCHGN-UHFFFAOYSA-N

Product Name

6,6'-Dihydroxy-3,3'-bipyridine

6,6'-Dihydroxy-3,3'-bipyridine Specification

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