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4-Chloro-3-methyl-1H-pyrrolo[2,3-b]pyridine (688782-02-7)

Identification
Name:4-Chloro-3-methyl-1H-pyrrolo[2,3-b]pyridine
Synonyms:1H-pyrrolo[2,3-b]pyridine, 4-chloro-3-methyl-;4-chloro-3-methyl-7-azaindole;
CAS:688782-02-7
Molecular Formula: C8H7ClN2
Molecular Weight: 166.61
InChI: InChI=1/C8H7ClN2/c1-5-4-11-8-7(5)6(9)2-3-10-8/h2-4H,1H3,(H,10,11)
Molecular Structure: (C8H7ClN2) 1H-pyrrolo[2,3-b]pyridine, 4-chloro-3-methyl-;4-chloro-3-methyl-7-azaindole;
Properties
Density:1.36
Refractive index:1.675
Specification:

The CAS register number of 4-Chloro-3-methyl-1H-pyrrolo[2,3-b]pyridine is 688782-02-7. It also can be called as 1H-pyrrolo[2,3-b]pyridine, 4-chloro-3-methyl- and the IUPAC name about this chemical is 4-chloro-3-methyl-1H-pyrrolo[2,3-b]pyridine. The molecular formula about this chemical is C8H7ClN2 and molecular weight is 166.61.

Physical properties about 4-Chloro-3-methyl-1H-pyrrolo[2,3-b]pyridine are: (1)ACD/LogP: 2.98; (2)ACD/LogD (pH 5.5): 2.95; (3)ACD/LogD (pH 7.4): 2.97; (4)ACD/BCF (pH 5.5): 100.84; (5)ACD/BCF (pH 7.4): 107.34; (6)ACD/KOC (pH 5.5): 929.01; (7)ACD/KOC (pH 7.4): 988.83; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)Polar Surface Area: 28.68Å2; (11)Index of Refraction: 1.675; (12)Molar Refractivity: 46.33 cm3; (13)Molar Volume: 123.3 cm3; (14)Polarizability: 18.37x10-24cm3; (15)Surface Tension: 56.6 dyne/cm.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccnc2ncc(C)c12
(2)InChI: InChI=1/C8H7ClN2/c1-5-4-11-8-7(5)6(9)2-3-10-8/h2-4H,1H3,(H,10,11)
(3)InChIKey: PMHDZZGHIUEOIO-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C8H7ClN2/c1-5-4-11-8-7(5)6(9)2-3-10-8/h2-4H,1H3,(H,10,11)
(5)Std. InChIKey: PMHDZZGHIUEOIO-UHFFFAOYSA-N

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