1H-Pyrazolo[3,4-b]pyridine-3-carboxylicacid, 5-bromo-, methyl ester supplier

Name
ethyl 5-chloro-[1,2,4]triazolo[4,3-a]pyrimidine-7-carboxylat
EINECS
CAS No. 916325-84-3
Article Data8
CAS DataBase
Density 1.798 g/cm³
Solubility
Melting Point
Formula C₈H₆BrN₃O₂
Boiling Point 394.9±37.0 °C(Predicted)
Molecular Weight 256.059
Flash Point
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
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;
PSA 69.38000
LogP 0.95440

1H-Pyrazolo[3,4-b]pyridine-3-carboxylicacid, 5-bromo-, methyl ester Specification

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

Product Name

ethyl 5-chloro-[1,2,4]triazolo[4,3-a]pyrimidine-7-carboxylat

1H-Pyrazolo[3,4-b]pyridine-3-carboxylicacid, 5-bromo-, methyl ester Specification

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