Ethyl 2,3-dimethyl-6-oxo-7H-pyrazolo[3,4-b]pyridine-4-carboxylate - CAS 1092018-70-6
Catalog: |
BB042948 |
Product Name: |
Ethyl 2,3-dimethyl-6-oxo-7H-pyrazolo[3,4-b]pyridine-4-carboxylate |
CAS: |
1092018-70-6 |
Synonyms: |
Ethyl 2,3-dimethyl-6-oxo-6,7-dihydro-2H-pyrazolo[3,4-b]pyridine-4-carboxylate; SBB026920; STK506765; ZINC20104070 |
IUPAC Name: | ethyl 2,3-dimethyl-6-oxo-7H-pyrazolo[3,4-b]pyridine-4-carboxylate |
Description: | Ethyl 2,3-dimethyl-6-oxo-7H-pyrazolo[3,4-b]pyridine-4-carboxylate (CAS# 1092018-70-6 ) is a useful research chemical. |
Molecular Weight: | 235.24 |
Molecular Formula: | C11H13N3O3 |
Canonical SMILES: | CCOC(=O)C1=CC(=O)NC2=NN(C(=C12)C)C |
InChI: | InChI=1S/C11H13N3O3/c1-4-17-11(16)7-5-8(15)12-10-9(7)6(2)14(3)13-10/h5H,4H2,1-3H3,(H,12,13,15) |
InChI Key: | UJBSZXJQVRZELP-UHFFFAOYSA-N |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; 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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 380 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 235.09569129 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 235.09569129 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 73.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.3 |
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Pyridines
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