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CAS No.: | 1020056-56-7 |
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Name: | 4-Chloro-5-methyl-1H-pyrrolo[2,3-b]pyridine |
Molecular Structure: | |
Formula: | C8H7ClN2 |
Molecular Weight: | 166.61 |
Synonyms: | 1H-Pyrrolo[2,3-b]pyridine, 4-chloro-5-methyl-; |
EINECS: | 604-604-1 |
Density: | 1.351 g/cm3 |
Hazard Symbols: | Xi |
Risk Codes: | 22-41 |
Safety: | 26-39 |
PSA: | 28.68000 |
LogP: | 2.52470 |
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The systematic name of this chemical is 4-Chloro-5-methyl-1H-pyrrolo[2,3-b]pyridine. With the CAS registry number 1020056-56-7, it is also named as 1H-Pyrrolo[2,3-b]pyridine, 4-chloro-5-methyl-. In addition, its molecular formula is C8H7ClN2 and molecular weight is 166.6076.
Physical properties about the 4-Chloro-5-methyl-1H-pyrrolo[2,3-b]pyridine are: (1)ACD/LogP: 2.98; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.95; (4)ACD/LogD (pH 7.4): 2.97 ; (5)#H bond acceptors: 2; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 0; (8)Polar Surface Area: 28.68 Å2; (9)Index of Refraction: 1.675; (10)Molar Refractivity: 46.33 cm3; (11)Molar Volume: 123.3 cm3; (12)Surface Tension: 56.6 dyne/cm; (13)Density: 1.351 g/cm3.
You can still convert the following datas into molecular structure:
(1) SMILES: Clc1c(C)cnc2nccc12
(2) InChI: InChI=1/C8H7ClN2/c1-5-4-11-8-6(7(5)9)2-3-10-8/h2-4H,1H3,(H,10,11)
(3) InChIKey: LIMOUCQGJZDFKP-UHFFFAOYAH