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CAS No.: | 94220-38-9 |
---|---|
Name: | 7-CHLORO-5-METHYL-1H-PYRAZOLO[4,3-B]PYRIDINE |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C7H6ClN3 |
Molecular Weight: | 167.60 |
Synonyms: | 7-CHLORO-5-METHYL-1H-PYRAZOLO[4,3-B]PYRIDINE;1H-Pyrazolo[4,3-b]pyridine, 7-chloro-5-Methyl- |
Density: | 1.438 g/cm3 |
Boiling Point: | 307.317 °C at 760 mmHg |
Flash Point: | 168.442 °C |
PSA: | 41.57000 |
LogP: | 1.91970 |
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The 1H-Pyrazolo[4,3-b]pyridine,7-chloro-5-methyl- is the organic compound with the formula C7H6ClN3. With the CAS registry number 94220-38-9, its systematic name is 7-chloro-5-methyl-1H-pyrazolo[4,3-b]pyridine.
Physical properties of 1H-Pyrazolo[4,3-b]pyridine,7-chloro-5-methyl-: (1)ACD/LogP: 3.21; (2)ACD/LogD (pH 5.5): 1; (3)ACD/LogD (pH 7.4): 1; (4)ACD/BCF (pH 5.5): 8; (5)ACD/BCF (pH 7.4): 8; (6)ACD/KOC (pH 5.5): 148; (7)ACD/KOC (pH 7.4): 152; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)Index of Refraction: 1.688; (11)Molar Refractivity: 44.431 cm3; (12)Molar Volume: 116.545 cm3; (13)Surface Tension: 66.267 dyne/cm; (14)Density: 1.438 g/cm3; (15)Flash Point: 168.442 °C; (16)Enthalpy of Vaporization: 52.603 kJ/mol; (17)Boiling Point: 307.317 °C at 760 mmHg; (18)Vapour Pressure: 0.001 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1c2c(nc(c1)C)cnn2
(2)InChI: InChI=1/C7H6ClN3/c1-4-2-5(8)7-6(10-4)3-9-11-7/h2-3H,1H3,(H,9,11)
(3)InChIKey: GTYZRPHAMFVUEE-UHFFFAOYAW