1,3-Dimethyl-6-(3-nitrophenyl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid - CAS 886503-31-7
Catalog: |
BB048559 |
Product Name: |
1,3-Dimethyl-6-(3-nitrophenyl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid |
CAS: |
886503-31-7 |
Synonyms: |
1,3-dimethyl-6-(3-nitrophenyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid; 1H-Pyrazolo[3,4-b]pyridine-4-carboxylic acid, 1,3-dimethyl-6-(3-nitrophenyl)- |
IUPAC Name: | 1,3-dimethyl-6-(3-nitrophenyl)pyrazolo[3,4-b]pyridine-4-carboxylic acid |
Description: | 1,3-Dimethyl-6-(3-nitrophenyl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid (CAS# 886503-31-7 ) is a useful research chemical. |
Molecular Weight: | 312.28 |
Molecular Formula: | C15H12N4O4 |
Canonical SMILES: | CC1=NN(C2=C1C(=CC(=N2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)O)C |
InChI: | InChI=1S/C15H12N4O4/c1-8-13-11(15(20)21)7-12(16-14(13)18(2)17-8)9-4-3-5-10(6-9)19(22)23/h3-7H,1-2H3,(H,20,21) |
InChI Key: | YOWBTPGRPOSMEB-UHFFFAOYSA-N |
Boiling Point: | 567.0±50.0 °C at 760 mmHg |
Purity: | 95 % |
Density: | 1.5±0.1 g/cm3 |
Complexity: | 483 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 312.08585488 |
Formal Charge: | 0 |
Heavy Atom Count: | 23 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 312.08585488 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 114 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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