1H-Pyrrolo[2,3-c]pyridine,2-[4-(trifluoromethyl)phenyl]- supplier

Name
2-(4-TRIFLUOROMETHYLPHENYL)-1H-PYRROLO[2,3-C]PYRIDINE
EINECS
CAS No. 627511-04-0
Article Data2
CAS DataBase
Density 1.352 g/cm³
Solubility
Melting Point
Formula C₁₄H₉F₃N₂
Boiling Point 402.9 °C at 760 mmHg
Molecular Weight 262.234
Flash Point 197.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-[4-(Trifluoromethyl)phenyl]-1H-pyrrolo[2,3-c]pyridine;2-(4-Trifluoromethylphenyl)-1H-pyrrolo[2,3-c]pyridine;
PSA 28.68000
LogP 4.24870

1H-Pyrrolo[2,3-c]pyridine,2-[4-(trifluoromethyl)phenyl]- Specification

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

Product Name

2-(4-TRIFLUOROMETHYLPHENYL)-1H-PYRROLO[2,3-C]PYRIDINE

1H-Pyrrolo[2,3-c]pyridine,2-[4-(trifluoromethyl)phenyl]- Specification

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