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271-52-3

Basic Information
CAS No.: 271-52-3
Name: 1H-Pyrazolo[4,3-c]pyridine
Molecular Structure:
Molecular Structure of 271-52-3 (1H-Pyrazolo[4,3-c]pyridine)
Formula: C6H5N3
Molecular Weight: 119.127
Synonyms: 2H-Pyrazolo[4, 3-c]pyridine;
Density: 1.349 g/cm3
Boiling Point: 318.8 °C at 760 mmHg
Flash Point: 161 °C
Hazard Symbols: Xn
Risk Codes: 22
PSA: 41.57000
LogP: 0.95790
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  • 2H-pyrazolo[4,3-c]pyridine

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Specification

The 1H-Pyrazolo[4, 3-c]pyridine has CAS registry number 271-52-3. This chemical's molecular formula is C6H5N3 and molecular weight is 119.127. What's more, its systematic name is 2H-Pyrazolo[4, 3-c]pyridine.

Physical properties about 1H-Pyrazolo[4, 3-c]pyridine are: (1)ACD/LogP: -0.18; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 0; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 3; (7)ACD/KOC (pH 7.4): 27; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 0; (11)Polar Surface Area: 41.57 Å2; (12)Index of Refraction: 1.715; (13)Molar Refractivity: 34.711 cm3; (14)Molar Volume: 88.319 cm3; (15)Polarizability: 13.761×10-24 cm3; (16)Surface Tension: 73.965 dyne/cm; (17)Density: 1.349 g/cm3; (18)Flash Point: 161 °C; (19)Enthalpy of Vaporization: 53.8 kJ/mol; (20)Boiling Point: 318.8 °C at 760 mmHg; (21)Vapour Pressure: 0.00066 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: c1nccc2nncc12
(2) InChI: InChI=1/C6H5N3/c1-2-7-3-5-4-8-9-6(1)5/h1-4H,(H,8,9)
(3) InChIKey: WCXFPLXZZSWROM-UHFFFAOYAL