5-Isopropylpyridine-2-carboxaldehyde (137013-14-0)

The 5-Isopropylpyridine-2-carboxaldehyde is an organic compound with the formula C₉H₁₁NO. The systematic name of this chemical is 5-isopropylpyridine-2-carbaldehyde. With the CAS registry number 137013-14-0, it is also named as 2-Pyridinecarboxaldehyde, 5-(1-methylethyl)- (9CI). The product's categories are Aldehyde; Pyridine.

Physical properties about 5-Isopropylpyridine-2-carboxaldehyde are: (1)ACD/LogP: 2.11; (2)ACD/LogD (pH 5.5): 2.1; (3)ACD/LogD (pH 7.4): 2.112; (4)ACD/BCF (pH 5.5): 23.055; (5)ACD/BCF (pH 7.4): 23.702; (6)ACD/KOC (pH 5.5): 326.311; (7)ACD/KOC (pH 7.4): 335.459; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 29.96 Å²; (11)Index of Refraction: 1.54; (12)Molar Refractivity: 45.282 cm³; (13)Molar Volume: 144.396 cm³; (14)Polarizability: 17.951×10^-24cm³; (15)Surface Tension: 39.294 dyne/cm; (16)Density: 1.033 g/cm³; (17)Flash Point: 112.988 °C; (18)Enthalpy of Vaporization: 48.97 kJ/mol; (19)Boiling Point: 252.356 °C at 760 mmHg; (20)Vapour Pressure: 0.019 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)c1ccc(nc1)C=O
(2)InChI: InChI=1/C9H11NO/c1-7(2)8-3-4-9(6-11)10-5-8/h3-7H,1-2H3
(3)InChIKey: ZMIPJSJRIRWJBY-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C9H11NO/c1-7(2)8-3-4-9(6-11)10-5-8/h3-7H,1-2H3
(5)Std. InChIKey: ZMIPJSJRIRWJBY-UHFFFAOYSA-N