1-Isopropyl-6-methyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid - CAS 883544-72-7
Catalog: |
BB042669 |
Product Name: |
1-Isopropyl-6-methyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid |
CAS: |
883544-72-7 |
Synonyms: |
6-methyl-1-(propan-2-yl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid; 6-methyl-1-(methylethyl)pyrazolo[5,4-b]pyridine-4-carboxylic acid |
IUPAC Name: | 6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylic acid |
Description: | 1-Isopropyl-6-methyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid (CAS# 883544-72-7 ) is a useful research chemical. |
Molecular Weight: | 219.24 |
Molecular Formula: | C11H13N3O2 |
Canonical SMILES: | CC1=CC(=C2C=NN(C2=N1)C(C)C)C(=O)O |
InChI: | InChI=1S/C11H13N3O2/c1-6(2)14-10-9(5-12-14)8(11(15)16)4-7(3)13-10/h4-6H,1-3H3,(H,15,16) |
InChI Key: | FZTBEHSMFGKXNA-UHFFFAOYSA-N |
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: | 282 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 219.100776666 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 219.100776666 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 68 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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Pyridines
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