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Name |
1H-Pyrrolo[2,3-c]pyridine,2-[4-(trifluoromethyl)phenyl]- |
EINECS | N/A |
CAS No. | 627511-04-0 | Density | 1.352 g/cm3 |
PSA | 28.68000 | LogP | 4.24870 |
Solubility | N/A | Melting Point |
N/A |
Formula | C14H9F3N2 | Boiling Point | 402.9 °C at 760 mmHg |
Molecular Weight | 262.234 | Flash Point | 197.5 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2-[4-(Trifluoromethyl)phenyl]-1H-pyrrolo[2,3-c]pyridine;2-(4-Trifluoromethylphenyl)-1H-pyrrolo[2,3-c]pyridine; |
Article Data | 2 |
The 1H-Pyrrolo[2,3-c]pyridine,2-[4-(trifluoromethyl)phenyl]- is an organic compound with the formula C14H9F3N2. The IUPAC name of this chemical is 2-[4-(Trifluoromethyl)phenyl]-1H-pyrrolo[2,3-c]pyridine. With the CAS registry number 627511-04-0, it is also named as 2-(4-Trifluoromethylphenyl)-1H-pyrrolo[2,3-c]pyridine. The category of the product is pharmacetical. Besides, its molecular weight is 262.23.
The physical properties of 1H-Pyrrolo[2,3-c]pyridine,2-[4-(trifluoromethyl)phenyl]- are: (1)ACD/LogP: 4.16; (2)ACD/LogD (pH 5.5): 2.4; (3)ACD/LogD (pH 7.4): 3.89; (4)ACD/BCF (pH 5.5): 14.99; (5)ACD/BCF (pH 7.4): 458.92; (6)ACD/KOC (pH 5.5): 76.79; (7)ACD/KOC (pH 7.4): 2350.77; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 17.82 Å2; (12)Index of Refraction: 1.598; (13)Molar Refractivity: 66.19 cm3; (14)Molar Volume: 193.8 cm3; (15)Polarizability: 26.24×10-24 cm3; (16)Surface Tension: 42.6 dyne/cm; (17)Density: 1.352 g/cm3; (18)Flash Point: 197.5 °C; (19)Enthalpy of Vaporization: 62.86 kJ/mol; (20)Boiling Point: 402.9 °C at 760 mmHg; (21)Vapour Pressure: 2.46E-06 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)c3ccc(c2cc1ccncc1n2)cc3
(2)InChI: InChI=1/C14H9F3N2/c15-14(16,17)11-3-1-9(2-4-11)12-7-10-5-6-18-8-13(10)19-12/h1-8,19H
(3)InChIKey: QGKYNZWMNUTCSE-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C14H9F3N2/c15-14(16,17)11-3-1-9(2-4-11)12-7-10-5-6-18-8-13(10)19-12/h1-8,19H
(5)Std. InChIKey: QGKYNZWMNUTCSE-UHFFFAOYSA-N