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CAS No.: | 16205-46-2 |
---|---|
Name: | Pyrazolo[1,5-a]pyridine-3-carboxylic acid |
Article Data: | 13 |
Molecular Structure: | |
Formula: | C8H6N2O2 |
Molecular Weight: | 162.148 |
Synonyms: | PYRAZOLO[1,5-A]PYRIDINE-3-CARBOXYLIC ACID;H-pyrazolo[1,5-a]pyridine-3-carboxylic acid;Pyrazolo[1,5-a]pyridine-3-carboxylic acid ,97%;Pyrazolo pyridine-3-carboxylic acid;razolo[1,5-a]pyridine-3-carboxylic acid |
Density: | 1.418 g/cm3 |
Melting Point: | 199-201 °C |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-37/39 |
PSA: | 54.60000 |
LogP: | 1.03250 |
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The Pyrazolo[1,5-a]pyridine-3-carboxylic acid, with CAS registry number 16205-46-2, has the systematic name of pyrazolo[1,5-a]pyridine-3-carboxylic acid. Besides this, it is also called H-pyrazolo[1,5-a]pyridine-3-carboxylic acid. And the chemical formula of this chemical is C8H6N2O2.
Physical properties of Pyrazolo[1,5-a]pyridine-3-carboxylic acid: (1)ACD/LogP: 1.35; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.67; (4)ACD/LogD (pH 7.4): -1.79; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 43.6 Å2; (13)Index of Refraction: 1.676; (14)Molar Refractivity: 43.02 cm3; (15)Molar Volume: 114.3 cm3; (16)Polarizability: 17.05×10-24cm3; (17)Surface Tension: 60.5 dyne/cm.
Preparation: this chemical can be prepared by pyrazolo[1,5-a]pyridine-3-carboxylic acid ethyl ester. This reaction will need reagent 50% NaOH. The yield is about 93%.
Uses of Pyrazolo[1,5-a]pyridine-3-carboxylic acid: it can be used to produce pyrazolo[1,5-a]pyridine. This reaction will need reagent polyphosphoric acid. The reaction time is 16 hour(s) with reaction temperature of 80 ℃. The yield is about 89%.
When you are using this chemical, please be cautious about it as the following:
The Pyrazolo[1,5-a]pyridine-3-carboxylic acid irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1cnn2c1cccc2
(2)InChI: InChI=1/C8H6N2O2/c11-8(12)6-5-9-10-4-2-1-3-7(6)10/h1-5H,(H,11,12)
(3)InChIKey: HRSDPDBQVZHCRC-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C8H6N2O2/c11-8(12)6-5-9-10-4-2-1-3-7(6)10/h1-5H,(H,11,12)
(5)Std. InChIKey: HRSDPDBQVZHCRC-UHFFFAOYSA-N