1H-Pyrrolo[2,3-b]pyridine,4-fluoro- (640735-23-5)

The 4-Fluoro-7-azaindole with cas registry number of 640735-23-5, belongs to the following product categories: (1)PYRIDINE; (2)Indole Derivatives; (3)Bases & Related ReagentsNucleotides. Its systematic name and IUPAC name are the same, which is 4-fluoro-1H-pyrrolo[2,3-b]pyridine.

Physical properties about this chemical are: (1)ACD/LogP: 1.96; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.8; (4)ACD/LogD (pH 7.4): 1.956; (5)ACD/BCF (pH 5.5): 12.593; (6)ACD/BCF (pH 7.4): 18.016; (7)ACD/KOC (pH 5.5): 192.405; (8)ACD/KOC (pH 7.4): 275.261; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 28.68 Å²; (13)Index of Refraction: 1.659; (14)Molar Refractivity: 36.614 cm³; (15)Molar Volume: 99.305 cm³; (16)Polarizability: 14.515×10^-24cm3; (17)Surface Tension: 56.271 dyne/cm.

You can still convert the following datas into molecular structure: 
(1)SMILES:c1c[nH]c2c1c(ccn2)F;
(2)InChI:InChI=1/C7H5FN2/c8-6-2-4-10-7-5(6)1-3-9-7/h1-4H,(H,9,10);
(3)InChIKey:YZTWCWYRUCKWDR-UHFFFAOYAG;
(4)Std. InChI:InChI=1S/C7H5FN2/c8-6-2-4-10-7-5(6)1-3-9-7/h1-4H,(H,9,10);
(5)Std. InChIKey:YZTWCWYRUCKWDR-UHFFFAOYSA-N