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Name |
Pyridine, 5-bromo-2-(1H-tetrazol-5-yl)- |
EINECS | N/A |
CAS No. | 380380-60-9 | Density | 1.851 g/cm3 |
PSA | 67.35000 | LogP | 1.02420 |
Solubility | N/A | Melting Point |
N/A |
Formula | C6H4BrN5 | Boiling Point | 396.451 °C at 760 mmHg |
Molecular Weight | 226.03 | Flash Point | 193.567 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
5-BROMO-2-(1H-TETRAZOL-5-YL)PYRIDINE;Pyridine, 5-broMo-2-(2H-tetrazol-5-yl)-;5-broMo-2-(2H-tetrazol-5-yl)pyridine;Tedizolid interMediate E;5-Bromo-2-(tetrazol-5-yl)pyridine |
Article Data | 18 |
The CAS registry number of Pyridine, 5-bromo-2-(1H-tetrazol-5-yl)- is 380380-60-9. This chemical's molecular formula is C6H4BrN5 and molecular weight is 226.03. What's more, both its IUPAC name and systematic name are the same which is called 5-Bromo-2-(1H-tetrazol-5-yl)pyridine.
Physical properties about Pyridine, 5-bromo-2-(1H-tetrazol-5-yl)- are: (1)ACD/LogP: 1.114; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.78; (4)ACD/LogD (pH 7.4): -0.89; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.24; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 67.35 Å2; (13)Index of Refraction: 1.665; (14)Molar Refractivity: 45.333 cm3; (15)Molar Volume: 122.12 cm3; (16)Polarizability: 17.971×10-24cm3; (17)Surface Tension: 81.854 dyne/cm; (18)Density: 1.851 g/cm3; (19)Flash Point: 193.567 °C; (20)Enthalpy of Vaporization: 64.675 kJ/mol; (21)Boiling Point: 396.451 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Brc1cnc(cc1)c2nnnn2
(2) InChI: InChI=1S/C6H4BrN5/c7-4-1-2-5(8-3-4)6-9-11-12-10-6/h1-3H,(H,9,10,11,12)
(3) InChIKey: LBDJSOHAVRCQPD-UHFFFAOYSA-N