6-Cyclopropyl-1-propyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid - CAS 937597-47-2
Catalog: |
BB048839 |
Product Name: |
6-Cyclopropyl-1-propyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid |
CAS: |
937597-47-2 |
Synonyms: |
6-cyclopropyl-1-propylpyrazolo[5,4-b]pyridine-4-carboxylic acid; 1H-Pyrazolo[3,4-b]pyridine-4-carboxylic acid, 6-cyclopropyl-1-propyl- |
IUPAC Name: | 6-cyclopropyl-1-propylpyrazolo[3,4-b]pyridine-4-carboxylic acid |
Description: | 6-Cyclopropyl-1-propyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid (CAS# 937597-47-2 ) is a useful research chemical. |
Molecular Weight: | 245.28 |
Molecular Formula: | C13H15N3O2 |
Canonical SMILES: | CCCN1C2=C(C=N1)C(=CC(=N2)C3CC3)C(=O)O |
InChI: | InChI=1S/C13H15N3O2/c1-2-5-16-12-10(7-14-16)9(13(17)18)6-11(15-12)8-3-4-8/h6-8H,2-5H2,1H3,(H,17,18) |
InChI Key: | AMFWYYBVTMGMSH-UHFFFAOYSA-N |
Boiling Point: | 426.5±45.0 °C (Predicted) |
Purity: | ≥ 95 % |
Density: | 1.44±0.1 g/cm3 (Predicted) |
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: | 332 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 245.11642673 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 245.11642673 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 68 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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