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4943-67-3

Basic Information
CAS No.: 4943-67-3
Name: 5-METHYL-1H-PYRROLO[3,2-B]PYRIDINE
Molecular Structure:
Molecular Structure of 4943-67-3 (5-METHYL-1H-PYRROLO[3,2-B]PYRIDINE)
Formula: C8H8N2
Molecular Weight: 132.165
Synonyms: 5-Methylpyrrolo[3,2-b]pyridine;
Density: 1.187 g/cm3
Boiling Point: 268.709 °C at 760 mmHg
Flash Point: 117.984 °C
PSA: 28.68000
LogP: 1.87130
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Specification

The 1H-Pyrrolo[3,2-b]pyridine, 5-methyl-, with the CAS registry number 4943-67-3, is also known as 5-Methylpyrrolo[3,2-b]pyridine. It belongs to the product category of Heterocycles series. This chemical's molecular formula is C8H8N2 and molecular weight is 132.1625. What's more, its systematic name is called 5-Methyl-1H-pyrrolo[3,2-b]pyridine.

Physical properties about 1H-Pyrrolo[3,2-b]pyridine, 5-methyl- are: (1)ACD/LogP: 1.63; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 1; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 2; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 36; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 0; (11)Polar Surface Area: 28.68 Å2; (12)Index of Refraction: 1.667; (13)Molar Refractivity: 41.445 cm3; (14)Molar Volume: 111.371 cm3; (15)Polarizability: 16.43×10-24 cm3; (16)Surface Tension: 54.431 dyne/cm; (17)Density: 1.187 g/cm3; (18)Flash Point: 117.984 °C; (19)Enthalpy of Vaporization: 48.638 kJ/mol; (20)Boiling Point: 268.709 °C at 760 mmHg; (21)Vapour Pressure: 0.013 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: n1c(ccc2c1ccn2)C
(2) InChI: InChI=1/C8H8N2/c1-6-2-3-7-8(10-6)4-5-9-7/h2-5,9H,1H3
(3) InChIKey: WGRRBPXKOSKCJO-UHFFFAOYAZ