1,3,6-Trimethyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid - CAS 886503-44-2
Catalog: |
BB048371 |
Product Name: |
1,3,6-Trimethyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid |
CAS: |
886503-44-2 |
Synonyms: |
1,3,6-trimethylpyrazolo[5,4-b]pyridine-4-carboxylic acid; 1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid, 1,3,6-trimethyl- |
IUPAC Name: | 1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxylic acid |
Description: | 1,3,6-Trimethyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid (CAS# 886503-44-2 ) is a useful research chemical. |
Molecular Weight: | 205.21 |
Molecular Formula: | C10H11N3O2 |
Canonical SMILES: | CC1=CC(=C2C(=NN(C2=N1)C)C)C(=O)O |
InChI: | InChI=1S/C10H11N3O2/c1-5-4-7(10(14)15)8-6(2)12-13(3)9(8)11-5/h4H,1-3H3,(H,14,15) |
InChI Key: | RDFKCZQFWJDUEX-UHFFFAOYSA-N |
Boiling Point: | 373.4±37.0 °C at 760 mmHg |
Purity: | ≥ 95 % |
Density: | 1.4±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: | 271 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 205.085126602 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 205.085126602 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 68 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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