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Name |
2-(2-Aminobenzoyl)pyridine |
EINECS | N/A |
CAS No. | 42471-56-7 | Density | 1.216 g/cm3 |
PSA | 55.98000 | LogP | 2.47600 |
Solubility | N/A | Melting Point |
153-155 °C |
Formula | C12H10N2O | Boiling Point | 411.398 °C at 760 mmHg |
Molecular Weight | 198.224 | Flash Point | 202.607 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
(2-Aminophenyl)pyridin-2-ylmethanone;2-Aminophenyl2-pyridyl ketone; |
Article Data | 12 |
The systematic name of 2-(2-Aminobenzoyl)pyridine is (2-aminophenyl)(pyridin-2-yl)methanone. With the CAS registry number 42471-56-7, it is also named as (2-Aminophenyl)pyridin-2-ylmethanone. The product's molecular formula is C12H10N2O and its molecular weight is 198.22.
The other characteristics of 2-(2-Aminobenzoyl)pyridine can be summarized as: (1)ACD/LogP: 1.20; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.2; (4)ACD/LogD (pH 7.4): 1.2; (5)ACD/BCF (pH 5.5): 4.77; (6)ACD/BCF (pH 7.4): 4.77; (7)ACD/KOC (pH 5.5): 106.54; (8)ACD/KOC (pH 7.4): 106.54; (9)H bond acceptors: 3; (10)H bond donors: 2; (11)Freely Rotating Bonds: 3; (12)Polar Surface Area: 33.2 Å2; (13)Index of Refraction: 1.634; (14)Molar Refractivity: 58.37 cm3; (15)Molar Volume: 163 cm3; (16)Polarizability: 23.14×10-24cm3; (17)Surface Tension: 56.4 dyne/cm; (18)Density: 1.215 g/cm3; (19)Flash Point: 202.6 °C; (20)Melting Point: 153-155 °C; (21)Enthalpy of Vaporization: 66.39 kJ/mol; (22)Boiling Point: 411.4 °C at 760 mmHg; (23)Vapour Pressure: 5.6E-07 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES:O=C(c1ccccc1N)c2ncccc2
(2)InChI:InChI=1/C12H10N2O/c13-10-6-2-1-5-9(10)12(15)11-7-3-4-8-14-11/h1-8H,13H2
(3)InChIKey:WEWXXYDHYCDEKY-UHFFFAOYAO
(4)Std. InChI:InChI=1S/C12H10N2O/c13-10-6-2-1-5-9(10)12(15)11-7-3-4-8-14-11/h1-8H,13H2
(5)Std. InChIKey:WEWXXYDHYCDEKY-UHFFFAOYSA-N