1,3-Dimethyl-6-(thiophen-2-yl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid - CAS 893645-77-7
Catalog: |
BB048846 |
Product Name: |
1,3-Dimethyl-6-(thiophen-2-yl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid |
CAS: |
893645-77-7 |
Synonyms: |
1,3-dimethyl-6-thien-2-yl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid; 1,3-Dimethyl-6-(2-thienyl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid; 1,3-dimethyl-6-(2-thienyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid; 1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid, 1,3-dimethyl-6-(2-thienyl)- |
IUPAC Name: | 1,3-dimethyl-6-thiophen-2-ylpyrazolo[3,4-b]pyridine-4-carboxylic acid |
Description: | 1,3-Dimethyl-6-(thiophen-2-yl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid (CAS# 893645-77-7 ) is a useful research chemical. |
Molecular Weight: | 273.31 |
Molecular Formula: | C13H11N3O2S |
Canonical SMILES: | CC1=NN(C2=C1C(=CC(=N2)C3=CC=CS3)C(=O)O)C |
InChI: | InChI=1S/C13H11N3O2S/c1-7-11-8(13(17)18)6-9(10-4-3-5-19-10)14-12(11)16(2)15-7/h3-6H,1-2H3,(H,17,18) |
InChI Key: | SFWLLQXTTFBYMQ-UHFFFAOYSA-N |
Boiling Point: | 500.9±50.0 °C at 760 mmHg |
Density: | 1.5±0.1 g/cm3 |
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: | 368 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 273.05719778 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 273.05719778 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 96.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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