1-Isopropyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid - CAS 851175-95-6
Catalog: |
BB048375 |
Product Name: |
1-Isopropyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid |
CAS: |
851175-95-6 |
Synonyms: |
6-phenyl-1-(propan-2-yl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid; 1-(methylethyl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylic acid; 1-(1-methylethyl)-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid |
IUPAC Name: | 6-phenyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxylic acid |
Description: | 1-Isopropyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid (CAS# 851175-95-6 ) is a useful research chemical. |
Molecular Weight: | 281.31 |
Molecular Formula: | C16H15N3O2 |
Canonical SMILES: | CC(C)N1C2=C(C=N1)C(=CC(=N2)C3=CC=CC=C3)C(=O)O |
InChI: | InChI=1S/C16H15N3O2/c1-10(2)19-15-13(9-17-19)12(16(20)21)8-14(18-15)11-6-4-3-5-7-11/h3-10H,1-2H3,(H,20,21) |
InChI Key: | FVWHXCPGGVRTCS-UHFFFAOYSA-N |
Boiling Point: | 483.8±45.0 °C at 760 mmHg |
Density: | 1.3±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: | 382 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 281.11642673 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 281.11642673 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 68 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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