4-(1H-Pyrazol-3-yl)pyridine supplier

Name
4-(1H-Pyrazol-3-yl)pyridine
EINECS
CAS No. 17784-60-0
Article Data15
CAS DataBase
Density 1.215 g/cm³
Solubility
Melting Point 151-153 °C
Formula C₈H₇N₃
Boiling Point 357 °C at 760 mmHg
Molecular Weight 145.164
Flash Point 176.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-(1H-pyrazol-5-yl)pyridine;
PSA 41.57000
LogP 1.47170

4-(1H-Pyrazol-3-yl)pyridine 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

Product Name

4-(1H-Pyrazol-3-yl)pyridine

4-(1H-Pyrazol-3-yl)pyridine Specification

Related Products

Hot Products