Basic information
- Name:
Benzo[h]-1,6-naphthyridin-2(1H)-one, 9-(6-amino-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]-
- Superlist Name:
- Torin 2
- CAS No.:
1223001-51-1
- Molecular Structure:
![Molecular Structure of 1223001-51-1 (Benzo[h]-1,6-naphthyridin-2(1H)-one, 9-(6-amino-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]-)](http://www.lookchem.com/300w\2012-3\820e631c-6d76-451a-b8a1-b5d1278ba810.gif)
- Formula:
- C24H15F3N4O
- Molecular Weight:
- 432.40
- Synonyms:
- Torin 2;
- Density:
- 1.427 g/cm3
- Boiling Point:
- 623.66 °C at 760 mmHg
- Flash Point:
- 330.978 °C
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Specification
The Torin 2, with the CAS registry number 1223001-51-1, is also known as Benzo[h]-1,6-naphthyridin-2(1H)-one, 9-(6-amino-3-pyridinyl)-1-[3-(trifluoromethyl)phenyl]-. This chemical's molecular formula is C24H15F3N4O and molecular weight is 432.40. What's more, its systematic name is 9-(6-Amino-3-pyridyl)-1-[3-(trifluoromethyl)phenyl]benzo[h][1,6]naphthyridin-2-one.
Physical properties of Torin 2 are: (1)ACD/LogP: 3.252; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.85; (4)ACD/LogD (pH 7.4): 3.24; (5)ACD/BCF (pH 5.5): 68.55; (6)ACD/BCF (pH 7.4): 171.20; (7)ACD/KOC (pH 5.5): 550.14; (8)ACD/KOC (pH 7.4): 1373.95; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 72.11 Å2; (13)Index of Refraction: 1.676; (14)Molar Refractivity: 114.005 cm3; (15)Molar Volume: 302.939 cm3; (16)Polarizability: 45.195×10-24cm3; (17)Surface Tension: 60.095 dyne/cm; (18)Density: 1.427 g/cm3; (19)Flash Point: 330.978 °C; (20)Enthalpy of Vaporization: 92.367 kJ/mol; (21)Boiling Point: 623.66 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: c1cc(cc(c1)n2c(=O)ccc3c2c4cc(ccc4nc3)c5ccc(nc5)N)C(F)(F)F
(2)Std. InChI: InChI=1S/C24H15F3N4O/c25-24(26,27)17-2-1-3-18(11-17)31-22(32)9-6-16-13-29-20-7-4-14(10-19(20)23(16)31)15-5-8-21(28)30-12-15/h1-13H,(H2,28,30)
(3)Std. InChIKey: GUXXEUUYCAYESJ-UHFFFAOYSA-N