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5-Chloro-1H-imidazo[4,5-b]pyridine-2-carboxylic acid

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Name

5-Chloro-1H-imidazo[4,5-b]pyridine-2-carboxylic acid

EINECS N/A
CAS No. 933750-74-4 Density 1.752 g/cm3
PSA 78.87000 LogP 1.30950
Solubility N/A Melting Point N/A
Formula C7H4ClN3O2 Boiling Point N/A
Molecular Weight 197.58 Flash Point N/A
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 933750-74-4 (5-chloro-1H-imidazo[4,5-b]pyridine-2-carboxylic acid) Hazard Symbols N/A
Synonyms

5-chloro-1H-imidazo[4,5-b]pyridine-2-carboxylic acid;

 

5-Chloro-1H-imidazo[4,5-b]pyridine-2-carboxylic acid Specification

This chemical is called 5-Chloro-1H-imidazo[4,5-b]pyridine-2-carboxylic acid, and it can also be named as 1H-imidazo[4,5-b]pyridine-2-carboxylic acid, 5-chloro-. With the molecular formula of C7H4ClN3O2, its molecular weight is 197.58. The CAS registry number of this chemical is 933750-74-4, and its product category is Chiral Chemicals.

Other characteristics of the 5-Chloro-1H-imidazo[4,5-b]pyridine-2-carboxylic acid can be summarised as followings: (1)ACD/LogP: 1.03; (2)# of Rule of 5 Violations: 0 ; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1.163; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 5; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 78.87 Å2; (11)Index of Refraction: 1.763; (12)Molar Refractivity: 46.536 cm3; (13)Molar Volume: 112.799 cm3; (14)Polarizability: 18.448×10-24cm3; (15)Surface Tension: 100.336 dyne/cm; (16)Density: 1.752 g/cm3.

You can still convert the following datas into molecular structure: 
1.SMILES: c1cc(nc2c1nc([nH]2)C(=O)O)Cl
2.InChI: InChI=1/C7H4ClN3O2/c8-4-2-1-3-5(10-4)11-6(9-3)7(12)13/h1-2H,(H,12,13)(H,9,10,11)|
3.InChIKey: YNJRKEMASYTHFC-UHFFFAOYAX

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