3-Methyl-5-nitro-1-phenyl-1H-pyrazolo[3,4-b]pyridine - CAS 98157-52-9
Catalog: |
BB047931 |
Product Name: |
3-Methyl-5-nitro-1-phenyl-1H-pyrazolo[3,4-b]pyridine |
CAS: |
98157-52-9 |
Synonyms: |
3-methyl-5-nitro-1-phenylpyrazolo[5,4-b]pyridine |
IUPAC Name: | 3-methyl-5-nitro-1-phenylpyrazolo[3,4-b]pyridine |
Description: | 3-Methyl-5-nitro-1-phenyl-1H-pyrazolo[3,4-b]pyridine (CAS# 98157-52-9 ) is a useful research chemical. |
Molecular Weight: | 254.24 |
Molecular Formula: | C13H10N4O2 |
Canonical SMILES: | CC1=NN(C2=C1C=C(C=N2)[N+](=O)[O-])C3=CC=CC=C3 |
InChI: | InChI=1S/C13H10N4O2/c1-9-12-7-11(17(18)19)8-14-13(12)16(15-9)10-5-3-2-4-6-10/h2-8H,1H3 |
InChI Key: | MTQWULBJDCTCHT-UHFFFAOYSA-N |
Boiling Point: | 367.8±42.0 °C at 760 mmHg |
Density: | 1.40±0.1 g/cm3 |
Complexity: | 340 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 254.08037557 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 254.08037557 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 76.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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