Methyl 3-Methyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylate - CAS 1150618-05-5
Catalog: |
BB003486 |
Product Name: |
Methyl 3-Methyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylate |
CAS: |
1150618-05-5 |
Synonyms: |
3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylic acid methyl ester; methyl 3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate |
IUPAC Name: | methyl 3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate |
Description: | Methyl 3-Methyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylate (CAS# 1150618-05-5) is a useful research chemical. |
Molecular Weight: | 191.19 |
Molecular Formula: | C9H9N3O2 |
Canonical SMILES: | CC1=C2C=C(C=NC2=NN1)C(=O)OC |
InChI: | InChI=1S/C9H9N3O2/c1-5-7-3-6(9(13)14-2)4-10-8(7)12-11-5/h3-4H,1-2H3,(H,10,11,12) |
InChI Key: | YJXJLESRRZVQPW-UHFFFAOYSA-N |
Storage: | Sealed in dry, Room Temperature |
MDL: | MFCD12031251 |
LogP: | 1.05290 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
AU-2015306458-A1 | Indazoles | 20140822 |
AU-2015306458-B2 | Indazoles | 20140822 |
CA-2958508-A1 | Indazoles | 20140822 |
EP-3183239-A1 | Indazoles | 20140822 |
EP-3183239-B1 | Indazoles | 20140822 |
Complexity: | 234 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 191.069476538 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 191.069476538 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 67.9 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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