The IUPAC name of this product is (4-Chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)methanol, and its CAS registry number is 1015610-07-7. This chemical's molecular formula is C8H7ClN2O and molecular weight is 182.607. In addition, this chemical may cause inflammation to the skin or other mucous membranes.
Physical properties about (4-Chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)methanol are: (1)ACD/LogP: 1.33; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.32; (4)ACD/LogD (pH 7.4): 1.33; (5)#H bond acceptors: 3; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 2; (8)Polar Surface Area: 48.91 Å2; (9)Index of Refraction: 1.724; (10)Molar Refractivity: 47.96 cm3; (11)Molar Volume: 120.8 cm3; (12)Polarizability: 19.01×10-24 cm3; (13)Surface Tension: 73.8 dyne/cm; (14)Density: 1.51 g/cm3.
You can still convert the following datas into molecular structure:
(1) SMILES: Clc1c(cnc2nccc12)CO
(2) InChI: InChI=1/C8H7ClN2O/c9-7-5(4-12)3-11-8-6(7)1-2-10-8/h1-3,12H,4H2,(H,10,11)
(3) InChIKey: XRAYGQBBYROBPT-UHFFFAOYAJ
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