3,4-Dihydroxypyridine supplier

Name
3,4-Dihydroxypyridine
EINECS 1806241-263-5
CAS No. 10182-48-6
Article Data1
CAS DataBase
Density 1.397 g/cm³
Solubility
Melting Point
Formula C₅H₅NO₂
Boiling Point 509.781 °C at 760 mmHg
Molecular Weight 111.1
Flash Point 262.106 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3,4-Pyridinediol;
PSA 53.35000
LogP 0.49280

3,4-Dihydroxypyridine Specification

The IUPAC name of 3,4-Pyridinediol is 3-hydroxy-1H-pyridin-4-one. With the CAS registry number 10182-48-6, it is also named as 3,4-Dihydroxypyridine. The product's categories are Pharmacetical; Pyridines. In addition, its molecular formula is C₅H₅NO₂ and molecular weight is 111.10.

The other characteristics of 3,4-Pyridinediol can be summarized as: (1)ACD/LogP: -1.23; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.23; (4)ACD/LogD (pH 7.4): -1.24; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 5.09; (8)ACD/KOC (pH 7.4): 4.97; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 29.54 Å²; (13)Index of Refraction: 1.593; (14)Molar Refractivity: 27.33 cm³; (15)Molar Volume: 80.5 cm³; (16)Polarizability: 10.83×10^-24cm³; (17)Surface Tension: 58.2 dyne/cm; (18)Density: 1.379 g/cm³; (19)Flash Point: 117.4 °C; (20)Enthalpy of Vaporization: 59.07 kJ/mol; (21)Boiling Point: 270.5 °C at 760 mmHg; (22)Vapour Pressure: 0.000895 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: O=C1\C=C/N/C=C1/O
(2)InChI: InChI=1/C5H5NO2/c7-4-1-2-6-3-5(4)8/h1-3,8H,(H,6,7)
(3)InChIKey: ZCUUVWCJGRQCMZ-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C5H5NO2/c7-4-1-2-6-3-5(4)8/h1-3,8H,(H,6,7)
(5)Std. InChIKey: ZCUUVWCJGRQCMZ-UHFFFAOYSA-N

Product Name

3,4-Dihydroxypyridine

3,4-Dihydroxypyridine Specification

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