Name: 5-Bromo-2-(2-methyl-2H-tetrazol-5-yl)-pyridine
SKU: 380380-64-3

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Basic Information

Molecular Structure:
CAS No.:	380380-64-3
Name:	5-Bromo-2-(2-methyl-2H-tetrazol-5-yl)-pyridine
Article Data:	23

Formula:	C₇H₆BrN₅
Molecular Weight:	240.062
Synonyms:	Pyridine, 5-bromo-2-(2-methyl-2H-tetrazol-5-yl)-;5-bromo-2-(2-methyl-2H-tetrazol-5-yl)pyridine;
Density:	1.853 g/cm³
Boiling Point:	375.19 °C at 760 mmHg
Flash Point:	180.709 °C
PSA:	56.49000
LogP:	1.03460

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Specification

The 5-Bromo-2-(2-methyl-2H-tetrazol-5-yl)-pyridine, with the CAS registry number 380380-64-3, is also known as Pyridine, 5-bromo-2-(2-methyl-2H-tetrazol-5-yl)-. This chemical's molecular formula is C₇H₆BrN₅ and molecular weight is 240.06. What's more, its systematic name is 5-bromo-2-(2-methyl-2H-tetrazol-5-yl)pyridine.

Physical properties of 5-Bromo-2-(2-methyl-2H-tetrazol-5-yl)-pyridine are: (1)ACD/LogP: 2.42; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 4; (6)ACD/BCF (pH 7.4): 4; (7)ACD/KOC (pH 5.5): 95; (8)ACD/KOC (pH 7.4): 95; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 56.49 Å²; (13)Index of Refraction: 1.759; (14)Molar Refractivity: 53.248 cm³; (15)Molar Volume: 129.547 cm³; (16)Polarizability: 21.109×10^-24 cm³; (17)Surface Tension: 62.481 dyne/cm; (18)Density: 1.853 g/cm³; (19)Flash Point: 180.709 °C; (20)Enthalpy of Vaporization: 62.267 kJ/mol; (21)Boiling Point: 375.19 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: Cn1nc(nn1)c2ncc(Br)cc2
(2)InChI: InChI=1/C7H6BrN5/c1-13-11-7(10-12-13)6-3-2-5(8)4-9-6/h2-4H,1H3
(3)InChIKey: JANKGNBDRWYWSN-UHFFFAOYAA