1-(2-Chlorobenzyl)-3,6-dimethyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid - CAS 937597-77-8
Catalog: |
BB048858 |
Product Name: |
1-(2-Chlorobenzyl)-3,6-dimethyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid |
CAS: |
937597-77-8 |
Synonyms: |
1-[(2-chlorophenyl)methyl]-3,6-dimethylpyrazolo[5,4-b]pyridine-4-carboxylic acid; 1H-Pyrazolo[3,4-b]pyridine-4-carboxylic acid, 1-[(2-chlorophenyl)methyl]-3,6-dimethyl-; 1-[(2-chlorophenyl)methyl]-3,6-dimethyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid |
IUPAC Name: | 1-[(2-chlorophenyl)methyl]-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxylic acid |
Description: | 1-(2-Chlorobenzyl)-3,6-dimethyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid (CAS# 937597-77-8 ) is a useful research chemical. |
Molecular Weight: | 315.75 |
Molecular Formula: | C16H14ClN3O2 |
Canonical SMILES: | CC1=CC(=C2C(=NN(C2=N1)CC3=CC=CC=C3Cl)C)C(=O)O |
InChI: | InChI=1S/C16H14ClN3O2/c1-9-7-12(16(21)22)14-10(2)19-20(15(14)18-9)8-11-5-3-4-6-13(11)17/h3-7H,8H2,1-2H3,(H,21,22) |
InChI Key: | XGFMAEQDTFHSSJ-UHFFFAOYSA-N |
Boiling Point: | 509.3±50.0 °C at 760 mmHg |
Density: | 1.4±0.1 g/cm3 |
Complexity: | 422 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 315.0774544 |
Formal Charge: | 0 |
Heavy Atom Count: | 22 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 315.0774544 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 68 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.4 |
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