1,3-Dimethyl-6-(4-methylphenyl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid - CAS 937598-72-6
Catalog: |
BB048970 |
Product Name: |
1,3-Dimethyl-6-(4-methylphenyl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid |
CAS: |
937598-72-6 |
Synonyms: |
1,3-Dimethyl-6-(p-tolyl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid; 1,3-Dimethyl-6-(p-tolyl)pyrazolo[3,4-b]pyridine-4-carboxylic acid; 1,3-dimethyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid; 1H-Pyrazolo[3,4-b]pyridine-4-carboxylic acid, 1,3-dimethyl-6-(4-methylphenyl)- |
IUPAC Name: | 1,3-dimethyl-6-(4-methylphenyl)pyrazolo[3,4-b]pyridine-4-carboxylic acid |
Description: | 1,3-Dimethyl-6-(4-methylphenyl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid (CAS# 937598-72-6 ) is a useful research chemical. |
Molecular Weight: | 281.31 |
Molecular Formula: | C16H15N3O2 |
Canonical SMILES: | CC1=CC=C(C=C1)C2=NC3=C(C(=NN3C)C)C(=C2)C(=O)O |
InChI: | InChI=1S/C16H15N3O2/c1-9-4-6-11(7-5-9)13-8-12(16(20)21)14-10(2)18-19(3)15(14)17-13/h4-8H,1-3H3,(H,20,21) |
InChI Key: | RZTGEBONDAJNFI-UHFFFAOYSA-N |
Boiling Point: | 503.4±50.0 °C at 760 mmHg |
Purity: | 95 % |
Density: | 1.3±0.1 g/cm3 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 395 |
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: | 2 |
Topological Polar Surface Area: | 68 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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