1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid - CAS 1018141-88-2
Catalog: |
BB047966 |
Product Name: |
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid |
CAS: |
1018141-88-2 |
Synonyms: |
1-(2-cyanoethyl)-3-methyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylic acid |
IUPAC Name: | 1-(2-cyanoethyl)-3-methyl-6-phenylpyrazolo[3,4-b]pyridine-4-carboxylic acid |
Description: | 1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid (CAS# 1018141-88-2 ) is a useful research chemical. |
Molecular Weight: | 306.32 |
Molecular Formula: | C17H14N4O2 |
Canonical SMILES: | CC1=NN(C2=C1C(=CC(=N2)C3=CC=CC=C3)C(=O)O)CCC#N |
InChI: | InChI=1S/C17H14N4O2/c1-11-15-13(17(22)23)10-14(12-6-3-2-4-7-12)19-16(15)21(20-11)9-5-8-18/h2-4,6-7,10H,5,9H2,1H3,(H,22,23) |
InChI Key: | FSMMTPGRFYIQTO-UHFFFAOYSA-N |
Boiling Point: | 591.4±50.0 °C at 760 mmHg |
Density: | 1.3±0.1 g/cm3 |
Complexity: | 482 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 306.1116757 |
Formal Charge: | 0 |
Heavy Atom Count: | 23 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 306.1116757 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 91.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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