Furo[3,4-b]pyridine-3-carboxylicacid, 4-(2-chlorophenyl)-5,7-dihydro-2-methyl-5-oxo- (113994-39-1)

The CAS register number of 4-(2-Chlorophenyl)-5,7-dihydro-2-methyl-5-oxo-furo[3,4-b]pyridine-3-carboxylic acid is 113994-39-1. It also can be called as 4-(2-Chlorophenyl)-5,7-dihydro-2-methyl-5-oxo-furo[3,4-b]pyridine-3-carboxylic acid and the systematic name about this chemical is furo[3,4-b]pyridine-3-carboxylic acid, 4-(2-chlorophenyl)-5,7-dihydro-2-methyl-5-oxo-. The molecular formula about this chemical is C₁₅H₁₀ClNO₄ and molecular weight is 303.70. It belongs to the Amlodipine.

Physical properties about 4-(2-Chlorophenyl)-5,7-dihydro-2-methyl-5-oxo-furo[3,4-b]pyridine-3-carboxylic acid are: (1)ACD/LogP: 1.20; (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: 5; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 76.49Ų; (10)Index of Refraction: 1.649; (11)Molar Refractivity: 74.88 cm³; (12)Molar Volume: 205.3 cm³; (13)Polarizability: 29.68x10^-24cm³; (14)Surface Tension: 64.2 dyne/cm; (15)Enthalpy of Vaporization: 82.53 kJ/mol; (16)Boiling Point: 512.6 °C at 760 mmHg; (17)Vapour Pressure: 2.48E-11 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cc1c(c(c2c(n1)COC2=O)c3ccccc3Cl)C(=O)O
(2)InChI: InChI=1/C15H10ClNO4/c1-7-11(14(18)19)12(8-4-2-3-5-9(8)16)13-10(17-7)6-21-15(13)20/h2-5H,6H2,1H3,(H,18,19)
(3)InChIKey: NCXNWIVLNOEFFU-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C15H10ClNO4/c1-7-11(14(18)19)12(8-4-2-3-5-9(8)16)13-10(17-7)6-21-15(13)20/h2-5H,6H2,1H3,(H,18,19)
(5)Std. InChIKey: NCXNWIVLNOEFFU-UHFFFAOYSA-N