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1057672-72-6

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Basic Information
CAS No.: 1057672-72-6
Name: 1H-Pyrazolo[4,3-b]pyridine, 7-chloro-1-methyl-
Molecular Structure:
Molecular Structure of 1057672-72-6 (1H-Pyrazolo[4,3-b]pyridine, 7-chloro-1-methyl-)
Formula: C7H6ClN3
Molecular Weight: 167.60
Synonyms: 1H-Pyrazolo[4,3-b]pyridine, 7-chloro-1-methyl-
Density: 1.436 g/cm3
Boiling Point: 266.825 °C at 760 mmHg
Flash Point: 115.172 °C
PSA: 30.71000
LogP: 1.62170
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    Product Name: 1H-Pyrazolo[4,3-b]pyridine, 7-chloro-1-Methyl- Synonyms: 1H-Pyrazolo[4,3-b]pyridine, 7-chloro-1-Methyl-;7-Chloro-1-methyl-4-azaindazole;7-chloro-1-methylpyrazolo[4,3-b]pyridine CAS: 1057672-72-6 MF: C7H6ClN3 MW: 167.6 EIN

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Specification

7-Chloro-1-methyl-1H-pyrazolo[4,3-b]pyridine, with the CAS registry number 1057672-72-6, is also named as 1H-Pyrazolo[4,3-b]pyridine, 7-chloro-1-methyl-. This chemical's molecular formula is C7H6ClN3 and molecular weight is 167.60. What's more, its systematic name is 7-Chloro-1-methyl-1H-pyrazolo[4,3-b]pyridine.

Physical properties of 7-Chloro-1-methyl-1H-pyrazolo[4,3-b]pyridine are: (1)ACD/LogP: 1.26; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.26; (4)ACD/LogD (pH 7.4): 1.26; (5)ACD/BCF (pH 5.5): 5.28; (6)ACD/BCF (pH 7.4): 5.34; (7)ACD/KOC (pH 5.5): 114.20; (8)ACD/KOC (pH 7.4): 115.45; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 30.71 Å2; (13)Index of Refraction: 1.681; (14)Molar Refractivity: 44.183 cm3; (15)Molar Volume: 116.746 cm3; (16)Polarizability: 17.515×10-24cm3; (17)Surface Tension: 49.7 dyne/cm; (18)Density: 1.436 g/cm3; (19)Flash Point: 115.172 °C; (20)Enthalpy of Vaporization: 48.447 kJ/mol; (21)Boiling Point: 266.825 °C at 760 mmHg; (22)Vapour Pressure: 0.01 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cn1c2c(ccnc2cn1)Cl
(2)Std. InChI: InChI=1S/C7H6ClN3/c1-11-7-5(8)2-3-9-6(7)4-10-11/h2-4H,1H3
(3)Std. InChIKey: JCKJVIKFHOEOGV-UHFFFAOYSA-N