CAS No.27257-15-4,1-Methyl-1H-pyrrolo[2,3-b]pyridine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	27257-15-4
Name:	1-Methyl-1H-pyrrolo[2,3-b]pyridine
Article Data:	49

Formula:	C₈H₈N₂
Molecular Weight:	132.165
Synonyms:	1-Methyl-1H-pyrrolo[2,3-b]pyridine;1-Methyl-7-azaindole;1-Methylpyrrolo[2,3-b]pyridine;
Density:	1.11g/cm³
Boiling Point:	254.2 °C at 760 mmHg
Flash Point:	107.6 °C
PSA:	17.82000
LogP:	1.57330

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Specification

The 1H-Pyrrolo[2,3-b]pyridine,1-methyl-, with the CAS registry number 27257-15-4, is also known as 1-Methyl-7-azaindole. This chemical's molecular formula is C₈H₈N₂ and molecular weight is 119.124. What's more, its systematic name is 1-methyl-1H-pyrrolo[2,3-b]pyridine.

Physical properties of 1H-Pyrrolo[2,3-b]pyridine,1-methyl- are: (1)ACD/LogP: 1.18; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.94; (4)ACD/LogD (pH 7.4): 1.17; (5)ACD/BCF (pH 5.5): 2.69; (6)ACD/BCF (pH 7.4): 4.56; (7)ACD/KOC (pH 5.5): 60.72; (8)ACD/KOC (pH 7.4): 102.87; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 17.82 Å²; (13)Index of Refraction: 1.609; (14)Molar Refractivity: 41.13 cm³; (15)Molar Volume: 118.7 cm³; (16)Surface Tension: 40.7 dyne/cm; (17)Density: 1.11 g/cm³; (18)Flash Point: 107.6 °C; (19)Enthalpy of Vaporization: 47.18 kJ/mol; (20)Boiling Point: 254.2 °C at 760 mmHg; (21)Vapour Pressure: 0.0279 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: n1cccc2c1n(cc2)C
(2)InChI: InChI=1S/C8H8N2/c1-10-6-4-7-3-2-5-9-8(7)10/h2-6H,1H3
(3)InChIKey: ZVOCBNCKNQJAFL-UHFFFAOYSA-N