1H-Pyrrolo[2,3-b]pyridine-2-carboxylicacid, 5-fluoro- (920978-94-5)

The 5-Fluoro-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid is an organic compound with the formula C₈H₅FN₂O₂. The IUPAC name of this chemical is 5-fluoro-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid. With the CAS registry number 920978-94-5, it is also named as 1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid, 5-fluoro-. The product's category is Chiral chemicals.

Physical properties about 5-Fluoro-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid are: (1)ACD/LogP: 0.66 ; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1.413; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 4; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 65.98 Å²; (10)Index of Refraction: 1.707; (11)Molar Refractivity: 43.544 cm³; (12)Molar Volume: 111.835 cm³; (13)Polarizability: 17.262×10^-24cm³; (14)Surface Tension: 79.663 dyne/cm; (15)Density: 1.611 g/cm³.

You can still convert the following datas into molecular structure:
(1)SMILES: c1c2cc([nH]c2ncc1F)C(=O)O
(2)InChI: InChI=1/C8H5FN2O2/c9-5-1-4-2-6(8(12)13)11-7(4)10-3-5/h1-3H,(H,10,11)(H,12,13)
(3)InChIKey: GLNFIUUKQXOTOZ-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C8H5FN2O2/c9-5-1-4-2-6(8(12)13)11-7(4)10-3-5/h1-3H,(H,10,11)(H,12,13)
(5)Std. InChIKey: GLNFIUUKQXOTOZ-UHFFFAOYSA-N