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1H-Pyrrolo[2,3-b]pyridine,6-chloro-4-methyl- (4894-29-5)

Identification
Name:1H-Pyrrolo[2,3-b]pyridine,6-chloro-4-methyl-
Synonyms:6-Chloro-4-methyl-7-azaindole;6-Chloro-4-methyl-1H-pyrrolo[3,2-b]pyridine;
CAS:4894-29-5
Molecular Formula: C8H7ClN2
Molecular Weight: 166.61
InChI: InChI=1/C8H7ClN2/c1-5-4-7(9)11-8-6(5)2-3-10-8/h2-4H,1H3,(H,10,11)
Molecular Structure: (C8H7ClN2) 6-Chloro-4-methyl-7-azaindole;6-Chloro-4-methyl-1H-pyrrolo[3,2-b]pyridine;
Properties
Density:1.36
Refractive index:1.675
Specification:

The systematic name of 6-Chloro-4-methyl-7-azaindole is 6-chloro-4-methyl-1H-pyrrolo[2,3-b]pyridine. With the CAS registry number 4894-29-5, it is also named as 1H-Pyrrolo[2,3-b]pyridine,6-chloro-4-methyl-. In addition, its molecular formula is C8H7ClN2 and its molecular weight is 166.61. 

The other characteristics of 6-Chloro-4-methyl-7-azaindole can be summarized as: (1)ACD/LogP: 2.91; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.89; (4)ACD/LogD (pH 7.4): 2.91; (5)H bond acceptors: 2; (6)H bond donors: 1; (7)Freely Rotating Bonds: 0; (8)Nominal mass: 166; (9)Average mass: 166.6076; (10)Monoisotopic mass: 166.029776; (11)Polar Surface Area: 28.68 Å2; (12)Index of Refraction: 1.675; (13)Molar Refractivity: 46.33 cm3; (14)Molar Volume: 123.3 cm3; (15)Polarizability: 18.37×10-24cm3; (16)Surface Tension: 56.6 dyne/cm; (17)Density: 1.351 g/cm3.

People can use the following data to convert to the molecule structure.
(1)SMILES:Cc1cc(Cl)nc2nccc12
(2)InChI:InChI=1/C8H7ClN2/c1-5-4-7(9)11-8-6(5)2-3-10-8/h2-4H,1H3,(H,10,11)
(3)InChIKey:BESFXGAXPPSDAD-UHFFFAOYAR
(4)Std. InChI:InChI=1S/C8H7ClN2/c1-5-4-7(9)11-8-6(5)2-3-10-8/h2-4H,1H3,(H,10,11)
(5)Std. InChIKey:BESFXGAXPPSDAD-UHFFFAOYSA-N

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