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5-Methoxy-7-azaindole

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Name

5-Methoxy-7-azaindole

EINECS N/A
CAS No. 183208-36-8 Density 1.244 g/cm3
PSA 37.91000 LogP 1.57150
Solubility N/A Melting Point N/A
Formula C8H8N2O Boiling Point 412.1±45.0 °C(Predicted)
Molecular Weight 148.164 Flash Point N/A
Transport Information N/A Appearance N/A
Safety 24/25 Risk Codes  Xi:;
Molecular Structure Molecular Structure of 183208-36-8 (5-METHOXY-1H-PYRROLO[2,3-B]PYRIDINE) Hazard Symbols IrritantXi
Synonyms

5-Methoxy-1H-pyrrolo[2,3-b]pyridine;

Article Data 17

5-Methoxy-7-azaindole Specification

The 5-Methoxy-7-azaindole is an organic compound with the formula C8H8N2O. The IUPAC name of this chemical is 5-methoxy-1H-pyrrolo[2,3-b]pyridine. With the CAS registry number 183208-36-8, it is also named as 1H-pyrrolo[2,3-b]pyridine, 5-methoxy-. The product's category is Pyridine.

Physical properties about 5-Methoxy-7-azaindole are: (1)ACD/LogP: 0.67; (2)ACD/LogD (pH 5.5): 0.644; (3)ACD/LogD (pH 7.4): 0.664; (4)ACD/BCF (pH 5.5): 1.798; (5)ACD/BCF (pH 7.4): 1.883; (6)ACD/KOC (pH 5.5): 52.276; (7)ACD/KOC (pH 7.4): 54.733; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 37.91 Å2; (12)Index of Refraction: 1.647; (13)Molar Refractivity: 43.298 cm3; (14)Molar Volume: 119.098 cm3; (15)Polarizability: 17.165×10-24cm3; (16)Surface Tension: 53.121 dyne/cm; (17)Density: 1.244 g/cm3.

You can still convert the following datas into molecular structure:
(1)SMILES: COc1cc2cc[nH]c2nc1
(2)InChI: InChI=1/C8H8N2O/c1-11-7-4-6-2-3-9-8(6)10-5-7/h2-5H,1H3,(H,9,10)
(3)InChIKey: AFUFCCUQHGSNAN-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C8H8N2O/c1-11-7-4-6-2-3-9-8(6)10-5-7/h2-5H,1H3,(H,9,10)
(5)Std. InChIKey: AFUFCCUQHGSNAN-UHFFFAOYSA-N

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