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108281-78-3

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Basic Information
CAS No.: 108281-78-3
Name: 6-Bromo-3-methyl-1,2,4-triazolo[4,3-a]-pyridine
Article Data: 2
Molecular Structure:
Molecular Structure of 108281-78-3 (6-Bromo-3-methyl-1,2,4-triazolo[4,3-a]-pyridine)
Formula: C7H6BrN3
Molecular Weight: 212.049
Synonyms: 3-a]pyridine;6-broMo-3-Methyl-[1
Density: 1.767 g/cm3
PSA: 30.19000
LogP: 1.80020
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Specification

This chemical is called 1,2,4-Triazolo[4,3-a]pyridine,6-bromo-3-methyl-, and its systematic name is 6-bromo-3-methyl[1,2,4]triazolo[4,3-a]pyridine. With the molecular formula of C7H6BrN3, its molecular weight is 212.0466. The CAS registry number of this chemical is 108281-78-3.

Other characteristics of the 1,2,4-Triazolo[4,3-a]pyridine,6-bromo-3-methyl- can be summarised as followings: (1)ACD/LogP: 0.85; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 12; (6)ACD/BCF (pH 7.4): 12; (7)ACD/KOC (pH 5.5): 201; (8)ACD/KOC (pH 7.4): 202; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 30.19 Å2; (13)Index of Refraction: 1.715; (14)Molar Refractivity: 47.139 cm3; (15)Molar Volume: 119.999 cm3; (16)Polarizability: 18.687×10-24cm3; (17)Surface Tension: 53.601 dyne/cm; (18)Density: 1.767 g/cm3.

You can still convert the following datas into molecular structure: 
1.SMILES: Brc1cn2c(cc1)nnc2C
2.InChI: InChI=1/C7H6BrN3/c1-5-9-10-7-3-2-6(8)4-11(5)7/h2-4H,1H3
3.InChIKey: SQJJGTRYJKBHNJ-UHFFFAOYAS