1-Benzyl-3,6-dimethyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid - CAS 937597-56-3
Catalog: |
BB048848 |
Product Name: |
1-Benzyl-3,6-dimethyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid |
CAS: |
937597-56-3 |
Synonyms: |
3,6-dimethyl-1-benzylpyrazolo[5,4-b]pyridine-4-carboxylic acid; 1H-Pyrazolo[3,4-b]pyridine-4-carboxylic acid, 3,6-dimethyl-1-(phenylmethyl)- |
IUPAC Name: | 1-benzyl-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxylic acid |
Description: | 1-Benzyl-3,6-dimethyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid (CAS# 937597-56-3 ) is a useful research chemical. |
Molecular Weight: | 281.31 |
Molecular Formula: | C16H15N3O2 |
Canonical SMILES: | CC1=CC(=C2C(=NN(C2=N1)CC3=CC=CC=C3)C)C(=O)O |
InChI: | InChI=1S/C16H15N3O2/c1-10-8-13(16(20)21)14-11(2)18-19(15(14)17-10)9-12-6-4-3-5-7-12/h3-8H,9H2,1-2H3,(H,20,21) |
InChI Key: | LLLVXJSFYCPFLA-UHFFFAOYSA-N |
Boiling Point: | 485.3±45.0 °C at 760 mmHg |
Density: | 1.3±0.1 g/cm3 |
Complexity: | 384 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 281.11642673 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 281.11642673 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 68 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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