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63411-79-0

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Basic Information
CAS No.: 63411-79-0
Name: 2-PYRIDIN-4-YL-1H-IMIDAZO[4,5-C]PYRIDINE
Article Data: 7
Molecular Structure:
Molecular Structure of 63411-79-0 (2-PYRIDIN-4-YL-1H-IMIDAZO[4,5-C]PYRIDINE)
Formula: C11H8N4
Molecular Weight: 196.211
Synonyms: 1H-Imidazo[4,5-c]pyridine,2-(4-pyridinyl)- (9CI);
Density: 1.336 g/cm3
Boiling Point: 476 °C at 760 mmHg
Flash Point: 234.6 °C
PSA: 54.46000
LogP: 2.01990
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Specification

The 3H-Imidazo[4, 5-c]pyridine, 2-(4-pyridinyl)-, with the CAS registry number 63411-79-0, is also known as 2-(4-Pyridinyl)-1H-imidazo[4, 5-c]pyridine. This chemical's molecular formula is C11H8N4 and molecular weight is 196.20802. What's more, its IUPAC name is 2-Pyridin-4-yl-3H-imidazo[4, 5-c]pyridine.

Physical properties about 3H-Imidazo[4, 5-c]pyridine, 2-(4-pyridinyl)- are: (1)ACD/LogP: 1.15; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.07; (4)ACD/LogD (pH 7.4): 1.38; (5)ACD/BCF (pH 5.5): 3.24; (6)ACD/BCF (pH 7.4): 6.5; (7)ACD/KOC (pH 5.5): 65.81; (8)ACD/KOC (pH 7.4): 132.23; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 43.6 Å2; (13)Index of Refraction: 1.71; (14)Molar Refractivity: 57.39 cm3; (15)Molar Volume: 146.8 cm3; (16)Polarizability: 22.75×10-24 cm3; (17)Surface Tension: 71.2 dyne/cm; (18)Density: 1.336 g/cm3; (19)Flash Point: 234.6 °C; (20)Enthalpy of Vaporization: 73.96 kJ/mol; (21)Boiling Point: 476 °C at 760 mmHg; (22)Vapour Pressure: 3.17E-09 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: n2ccc1nc(nc1c2)c3ccncc3
(2) InChI: InChI=1/C11H8N4/c1-4-12-5-2-8(1)11-14-9-3-6-13-7-10(9)15-11/h1-7H,(H,14,15)
(3) InChIKey: NEAHTABRXFKZGG-UHFFFAOYAJ