The Methanone,(2-amino-3-pyridinyl)phenyl-, with the CAS registry number of 3810-10-4, is also known as 2-Amino-3-benzoylpyridine. Its molecular formula is C12H10N2O and molecular weight is 198.22. What's more, its systematic name is (2-Aminopyridin-3-yl)(phenyl)methanone.
Physical properties about the Methanone,(2-amino-3-pyridinyl)phenyl- are: (1)ACD/LogP: 1.92; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 31; (6)ACD/BCF (pH 7.4): 37; (7)ACD/KOC (pH 5.5): 388; (8)ACD/KOC (pH 7.4): 462; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 55.98 Å2; (13)Index of Refraction: 1.635; (14)Molar Refractivity: 58.373 cm3; (15)Molar Volume: 163.052 cm3; (16)Surface Tension: 56.429 dyne/cm; (17)Density: 1.216 g/cm3; (18)Flash Point: 197.676 °C; (19)Enthalpy of Vaporization: 65.451 kJ/mol; (20)Boiling Point: 403.246 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(c1cccnc1N)c2ccccc2
(2) InChI: InChI=1/C12H10N2O/c13-12-10(7-4-8-14-12)11(15)9-5-2-1-3-6-9/h1-8H,(H2,13,14)
(3) InChIKey: KROYVOKHXIFHMV-UHFFFAOYAY
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