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Basic Information
CAS No.: 10299-69-1
Name: 1H-Pyrrolo[2,3-b]pyridine, 2,3-dimethyl-
Article Data: 5
Molecular Structure:
Molecular Structure of 10299-69-1 (1H-Pyrrolo[2,3-b]pyridine, 2,3-dimethyl-)
Formula: C9H10N2
Molecular Weight: 146.1891
Synonyms: 2,3-Dimethyl-1H-pyrrolo[2,3-b]pyridin;
Density: 1.145 g/cm3
Melting Point: 136-138 °C
Boiling Point: 348.6±15.0 °C(Predicted)
PSA: 28.68000
LogP: 2.17970
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Specification

The CAS registry number of 1H-Pyrrolo[2,3-b]pyridine,2,3-dimethyl- is 10299-69-1. This chemical's molecular formula is C9H10N2 and molecular weight is 146.1891. What's more, its systematic name is called 2,3-Dimethyl-1H-pyrrolo[2,3-b]pyridine.

Physical properties about this chemical are: (1)ACD/LogP: 2.74; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.35; (4)ACD/LogD (pH 7.4): 2.73; (5)ACD/BCF (pH 5.5): 28.95; (6)ACD/BCF (pH 7.4): 69.92; (7)ACD/KOC (pH 5.5): 299.74; (8)ACD/KOC (pH 7.4): 723.93; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 28.68 Å2; (13)Index of Refraction: 1.644; (14)Molar Refractivity: 46.26 cm3; (15)Molar Volume: 127.6 cm3; (16)Polarizability: 18.34×10-24 cm3; (17)Surface Tension: 50.4 dyne/cm; (18)Density: 1.145 g/cm3.

Uses of 1H-Pyrrolo[2,3-b]pyridine,2,3-dimethyl-: it is used to produce other chemicals. For example, it is used to produce (2,3-Dimethyl-pyrrolo[2,3-b]pyridin-1-yl)-oxo-acetic acid ethyl ester, C20H18N4O2*BrH and 1,2-Bis-(2,3-dimethyl-pyrrolo[2,3-b]pyridin-1-yl)-ethane-1,2-dione .

1H-Pyrrolo[2,3-b]pyridine,2,3-dimethyl- is used to produce (2,3-Dimethyl-pyrrolo[2,3-b]pyridin-1-yl)-oxo-acetic acid ethyl ester.1H-Pyrrolo[2,3-b]pyridine,2,3-dimethyl- is used to produce (2,3-Dimethyl-pyrrolo[2,3-b]pyridin-1-yl)-oxo-acetic acid ethyl ester

The reaction needs reagent Ethylmagnesium bromide and solvent Ethanol react for 2 hours. The yield is 21%.

You can still convert the following datas into molecular structure:
(1) SMILES: Cc1c2cccnc2nc1C
(2) InChI: InChI=1/C9H10N2/c1-6-7(2)11-9-8(6)4-3-5-10-9/h3-5H,1-2H3,(H,10,11)
(3) InChIKey: MXNHEZZBSKBOHW-UHFFFAOYAN