-
Name
Pyrazolo[1,5-a]pyridine-2-carboxylic acid, 4,5,6,7-tetrahydro- (9CI)
- EINECS
- CAS No. 307313-03-7
- Article Data7
- CAS DataBase
- Density 1.454 g/cm3
- Solubility
- Melting Point
- Formula C8H10N2O2
- Boiling Point 397.082 °C at 760 mmHg
- Molecular Weight 166.18
- Flash Point 193.949 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms 4,5,6,7-Tetrahydropyrazolo[1,5-a]pyridine-2-carboxylic acid;
- PSA 55.12000
- LogP 0.91760
4,5,6,7-Tetrahydropyrazolo[1,5-a]pyridine-2-carboxylic acid Specification
The systematic name of 4,5,6,7-Tetrahydropyrazolo[1,5-a]pyridine-2-carboxylic acid is 4,5,6,7-Tetrahydropyrazolo[1,5-a]pyridine-2-carboxylic acid. With the CAS registry number 307313-03-7, it is also named as Pyrazolo[1,5-a]pyridine-2-carboxylicacid, 4,5,6,7-tetrahydro-. The product's category is Glycinescaffold. In addition, its molecular formula is C8H10N2O2 and its molecular weight is 166.18.
The other characteristics of 4,5,6,7-Tetrahydropyrazolo[1,5-a]pyridine-2-carboxylic acid can be summarized as: (1)ACD/LogP: 1.84; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 4; (6)ACD/KOC (pH 7.4): 1; (7)H bond acceptors: 4; (8)H bond donors: 1; (9)Freely Rotating Bonds: 1; (10)Polar Surface Area: 55.12 Å2; (11)Index of Refraction: 1.676; (12)Molar Refractivity: 43.026 cm3; (13)Molar Volume: 114.315 cm3; (14)Polarizability: 17.057×10-24cm3; (15)Surface Tension: 60.522 dyne/cm; (16)Density: 1.454 g/cm3; (17)Flash Point: 193.949 °C; (18)Enthalpy of Vaporization: 68.283 kJ/mol; (19)Boiling Point: 397.082 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES:OC(=O)c1cc2CCCCn2n1
(2)InChI:InChI=1/C8H10N2O2/c11-8(12)7-5-6-3-1-2-4-10(6)9-7/h5H,1-4H2,(H,11,12)
(3)InChIKey:GWQKXBKREDPLAS-UHFFFAOYAR
(4)Std. InChI:InChI=1S/C8H10N2O2/c11-8(12)7-5-6-3-1-2-4-10(6)9-7/h5H,1-4H2,(H,11,12)
(5)Std. InChIKey:GWQKXBKREDPLAS-UHFFFAOYSA-N
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