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2-Pyridinecarboxaldehyde, 5,6-dimethoxy-

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Name

2-Pyridinecarboxaldehyde, 5,6-dimethoxy-

EINECS N/A
CAS No. 106331-68-4 Density 1.174 g/cm3
PSA 48.42000 LogP 0.91130
Solubility N/A Melting Point N/A
Formula C8H9NO3 Boiling Point 257.7 °C at 760 mmHg
Molecular Weight 167.162 Flash Point 109.7 °C
Transport Information N/A Appearance N/A
Safety 26-36/37 Risk Codes 22-41-43
Molecular Structure Molecular Structure of 106331-68-4 (2-Pyridinecarboxaldehyde, 5,6-dimethoxy-) Hazard Symbols Xn
Synonyms

5,6-Dimethoxypicolinaldehyde

Article Data 5

2-Pyridinecarboxaldehyde, 5,6-dimethoxy- Specification

The 2-Pyridinecarboxaldehyde, 5,6-dimethoxy- is an organic compound with the formula C8H9NO3. The systematic name of this chemical is 5,6-Dimethoxypyridine-2-carbaldehyde. With the CAS registry number 106331-68-4, it is also named as 5,6-Dimethoxypicolinaldehyde. Besides, its molecular weight is 167.162.

The physical properties of 2-Pyridinecarboxaldehyde, 5,6-dimethoxy- are: (1)ACD/LogP: 1.53; (2)ACD/LogD (pH 5.5): 1.53; (3)ACD/LogD (pH 7.4): 1.53; (4)ACD/BCF (pH 5.5): 8.5; (5)ACD/BCF (pH 7.4): 8.5; (6)ACD/KOC (pH 5.5): 161.06; (7)ACD/KOC (pH 7.4): 161.07; (8)#H bond acceptors: 4; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 48.42 Å2; (11)Index of Refraction: 1.537; (12)Molar Refractivity: 44.45 cm3; (13)Molar Volume: 142.3 cm3; (14)Polarizability: 17.62×10-24 cm3; (15)Surface Tension: 40.8 dyne/cm; (16)Density: 1.174 g/cm3; (17)Flash Point: 109.7 °C; (18)Enthalpy of Vaporization: 49.53 kJ/mol; (19)Boiling Point: 257.7 °C at 760 mmHg; (20)Vapour Pressure: 0.0143 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: COc1nc(ccc1OC)C=O
(2)InChI: InChI=1/C8H9NO3/c1-11-7-4-3-6(5-10)9-8(7)12-2/h3-5H,1-2H3
(3)InChIKey: FIRAPCOCRVQDEQ-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C8H9NO3/c1-11-7-4-3-6(5-10)9-8(7)12-2/h3-5H,1-2H3
(5)Std. InChIKey: FIRAPCOCRVQDEQ-UHFFFAOYSA-N

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