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| CAS No.: | 17784-60-0 |
|---|---|
| Name: | 4-(1H-Pyrazol-3-yl)pyridine |
| Article Data: | 15 |
| Molecular Structure: | |
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| Formula: | C8H7N3 |
| Molecular Weight: | 145.164 |
| Synonyms: | 4-(1H-pyrazol-5-yl)pyridine; |
| Density: | 1.215 g/cm3 |
| Melting Point: | 151-153 °C |
| Boiling Point: | 357 °C at 760 mmHg |
| Flash Point: | 176.1 °C |
| PSA: | 41.57000 |
| LogP: | 1.47170 |
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- Total:24 Page 1 of 1 1
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Specification
The IUPAC name of 4-(1H-Pyrazol-3-yl)pyridine is 4-(1H-pyrazol-5-yl)pyridine. With the CAS registry number 17784-60-0, it is also named as 4-(1H-Pyrazol-5-yl)pyridine. In addition, its molecular formula is C8H7N3 and its molecular weight is 145.16.
The other characteristics of 4-(1H-Pyrazol-3-yl)pyridine can be summarized as: (1)ACD/LogP: 1.43; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 2; (6)ACD/BCF (pH 7.4): 2; (7)ACD/KOC (pH 5.5): 56; (8)ACD/KOC (pH 7.4): 56; (9)H bond acceptors: 3; (10)H bond donors: 1; (11)Freely Rotating Bonds: 1; (12)Polar Surface Area: 41.57 Å2; (13)Index of Refraction: 1.611; (14)Molar Refractivity: 41.46 cm3; (15)Molar Volume: 119.488 cm3; (16)Polarizability: 16.436×10-24cm3; (17)Surface Tension: 57.15 dyne/cm; (18)Density: 1.215 g/cm3; (19)Flash Point: 176.095 °C; (20)Melting point: 151-153 °C; (21)Enthalpy of Vaporization: 57.861 kJ/mol; (22)Boiling Point: 357.03 °C at 760 mmHg; (23)Vapour Pressure: 0 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES:n1ccc(cc1)c2ccnn2
(2)InChI:InChI=1/C8H7N3/c1-4-9-5-2-7(1)8-3-6-10-11-8/h1-6H,(H,10,11)
(3)InChIKey:FEBRHATXLQPYLJ-UHFFFAOYAF
(4)Std. InChI:InChI=1S/C8H7N3/c1-4-9-5-2-7(1)8-3-6-10-11-8/h1-6H,(H,10,11)
(5)Std. InChIKey:FEBRHATXLQPYLJ-UHFFFAOYSA-N