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CAS No.: 405224-24-0
Name: 5-BROMO-1H-PYRAZOLO[3,4-B]PYRIDIN-3-YLAMINE
Article Data: 11
Molecular Structure:
Molecular Structure of 405224-24-0 (5-BROMO-1H-PYRAZOLO[3,4-B]PYRIDIN-3-YLAMINE)
Formula: C6H5BrN4
Molecular Weight: 213.037
Synonyms: 5-bromo-2H-pyrazolo[3,4-b]pyridin-3-amine;3-Amino-5-bromo-1H-pyrazolo[3,4-b]pyridine;
Density: 1.995 g/cm3
Boiling Point: 429.136 °C at 760 mmHg
Flash Point: 213.334 °C
Hazard Symbols: Xn
Risk Codes: 22
PSA: 67.59000
LogP: 1.88380
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Specification

The CAS register number of 1H-Pyrazolo[3,4-b]pyridin-3-amine,5-bromo- is 405224-24-0. It also can be called as 3-Amino-5-bromo-1H-pyrazolo[3,4-b]pyridine and the IUPAC name about this chemical is 5-bromo-2H-pyrazolo[3,4-b]pyridin-3-amine. The molecular formula about this chemical is C6H5BrN4 and the molecular weight is 213.03.

Physical properties about 1H-Pyrazolo[3,4-b]pyridin-3-amine,5-bromo- are: (1)ACD/LogP: -0.26; (2)ACD/LogD (pH 5.5): 1; (3)ACD/LogD (pH 7.4): 1; (4)ACD/BCF (pH 5.5): 2; (5)ACD/BCF (pH 7.4): 2; (6)ACD/KOC (pH 5.5): 47; (7)ACD/KOC (pH 7.4): 47; (8)#H bond acceptors: 4; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 67.59Å2; (12)Index of Refraction: 1.824; (13)Molar Refractivity: 46.637 cm3; (14)Molar Volume: 106.784 cm3; (15)Polarizability: 18.489x10-24cm3; (16)Surface Tension: 97.25 dyne/cm; (17)Flash Point: 213.334 °C; (18)Enthalpy of Vaporization: 68.438 kJ/mol; (19)Boiling Point: 429.136 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: c1c(cnc2c1c(n[nH]2)N)Br
(2)InChI: InChI=1/C6H5BrN4/c7-3-1-4-5(8)10-11-6(4)9-2-3/h1-2H,(H3,8,9,10,11)
(3)InChIKey: SSNUTEUZXZIYTB-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C6H5BrN4/c7-3-1-4-5(8)10-11-6(4)9-2-3/h1-2H,(H3,8,9,10,11)
(5)Std. InChIKey: SSNUTEUZXZIYTB-UHFFFAOYSA-N