3,5-Dimethyl-2-hydroxymethyl-4-nitropyridine

The IUPAC name of 3,5-Dimethyl-2-hydroxymethyl-4-nitropyridine is (3,5-dimethyl-4-nitropyridin-2-yl)methanol. With the CAS registry number 149082-03-1, it is also named as 2-Pyridinemethanol,3,5-dimethyl-4-nitro-. The product's categories are Pyridines Derivates; C7 and C8; Heterocyclic Building Blocks; Pyridines. Besides, it is yellow solid, which should be stored in a sealed, cool, ventilated and dry place. This chemical is used as pharmaceutical intermediate. In addition, its molecular formula is C₈H₁₀N₂O₃ and molecular weight is 182.18.

The other characteristics of 3,5-Dimethyl-2-hydroxymethyl-4-nitropyridine can be summarized as: (1)ACD/LogP: 0.06; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.06; (4)ACD/LogD (pH 7.4): 0.06; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 25.76; (8)ACD/KOC (pH 7.4): 25.77; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 67.94 Å²; (13)Index of Refraction: 1.581; (14)Molar Refractivity: 46.99 cm³; (15)Molar Volume: 140.8 cm³; (16)Polarizability: 18.62×10^-24cm³; (17)Surface Tension: 56.2 dyne/cm; (18)Density: 1.293 g/cm³; (19)Flash Point: 165.3 °C; (20)Melting Point: 66-70 °C; (21)Enthalpy of Vaporization: 62.71 kJ/mol; (22)Boiling Point: 349.7 °C at 760 mmHg; (23)Vapour Pressure: 1.72E-05 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following: it is irritating to eyes, respiratory system and skin. In case of contact with eyes, please rinse immediately with plenty of water and seek medical advice. And you should wear suitable protective clothing.

People can use the following data to convert to the molecule structure.
(1)SMILES: [O-][N+](=O)c1c(cnc(c1C)CO)C
(2)InChI: InChI=1/C8H10N2O3/c1-5-3-9-7(4-11)6(2)8(5)10(12)13/h3,11H,4H2,1-2H3
(3)InChIKey: KBCDOXSSYLFMHH-UHFFFAOYAM
(4)Std. InChI: InChI=1S/C8H10N2O3/c1-5-3-9-7(4-11)6(2)8(5)10(12)13/h3,11H,4H2,1-2H3
(5)Std. InChIKey: KBCDOXSSYLFMHH-UHFFFAOYSA-N