Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
1H-Pyrazolo[3,4-b]pyridine-3-carboxylicacid, 5-bromo-, methyl ester |
EINECS | N/A |
CAS No. | 916325-84-3 | Density | 1.798 g/cm3 |
PSA | 69.38000 | LogP | 0.95440 |
Solubility | N/A | Melting Point |
N/A |
Formula | C8H6BrN3O2 | Boiling Point | 394.9±37.0 °C(Predicted) |
Molecular Weight | 256.059 | Flash Point | N/A |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Methyl 5-bromo-2H-pyrazolo[3,4-b]pyridine-3-carboxylate;Methyl 5-bromo-1H-pyrazolo[3,4-b]pyridine-3-carboxylate;TC-072663; |
Article Data | 8 |
The 1H-Pyrazolo[3,4-b]pyridine-3-carboxylicacid, 5-bromo-, methyl ester with CAS registry number of 916325-84-3 is also known as TC-072663. The IUPAC name is Methyl 5-bromo-2H-pyrazolo[3,4-b]pyridine-3-carboxylate. In addition, the formula is C8H6BrN3O2 and the molecular weight is 256.06.
Physical properties about 1H-Pyrazolo[3,4-b]pyridine-3-carboxylicacid, 5-bromo-, methyl ester are: (1)ACD/LogP: 1.30; (2)ACD/LogD (pH 5.5): 1.302; (3)ACD/LogD (pH 7.4): 1.207; (4)ACD/BCF (pH 5.5): 5.747; (5)ACD/BCF (pH 7.4): 4.618; (6)ACD/KOC (pH 5.5): 121.577; (7)ACD/KOC (pH 7.4): 97.682; (8)#H bond acceptors: 5; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Index of Refraction: 1.686; (12)Molar Refractivity: 54.174 cm3; (13)Molar Volume: 142.397 cm3; (14)Surface Tension: 71.692 dyne/cm; (15)Density: 1.798 g/cm3.
You can still convert the following datas into molecular structure:
1. Canonical SMILES: COC(=O)C1=C2C=C(C=NC2=NN1)Br
2. InChI: InChI=1S/C8H6BrN3O2/c1-14-8(13)6-5-2-4(9)3-10-7(5)12-11-6/h2-3H,1H3,(H,10,11,12)
3. InChIKey: NWAGLGKQKQZPHF-UHFFFAOYSA-N