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5-Fluoro-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid

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Name

5-Fluoro-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid

EINECS N/A
CAS No. 920978-94-5 Density 1.611 g/cm3
PSA 65.98000 LogP 1.40020
Solubility N/A Melting Point N/A
Formula C8H5FN2O2 Boiling Point N/A
Molecular Weight 180.138 Flash Point N/A
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 920978-94-5 (5-fluoro-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid) Hazard Symbols N/A
Synonyms

5-Fluoro-1H-pyrrolo[2,3-b]pyridine-2-carboxylicacid;

Article Data 4

5-Fluoro-1H-pyrrolo[2,3-b]pyridine-2-carboxylic acid Specification

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

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