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Name |
4-Quinolinecarboxylicacid, 2-(3-pyridinyl)- |
EINECS | N/A |
CAS No. | 7482-91-9 | Density | 1.332 g/cm3 |
PSA | 63.08000 | LogP | 2.99500 |
Solubility | N/A | Melting Point |
290 °C(Solv: methanol (67-56-1); ethanol (64-17-5)) |
Formula | C15H10N2O2 | Boiling Point | 481.9 °C at 760 mmHg |
Molecular Weight | 250.257 | Flash Point | 245.2 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
2-(3-Pyridyl)-4-quinolinecarboxylic acid; |
Article Data | 10 |
The 4-Quinolinecarboxylicacid, 2-(3-pyridinyl)-, with the CAS registry number 7482-91-9, is also known as 2-(3-Pyridyl)-4-quinolinecarboxylic acid. This chemical's molecular formula is C15H10N2O2 and molecular weight is 250.25. What's more, its IUPAC name is 2-Pyridin-3-ylquinoline-4-carboxylic acid. This chemical's classification code is Dug / Therapeutic Agent. In addition, this chemical may cause inflammation to the skin or other mucous membranes.
Physical properties about 4-Quinolinecarboxylicacid, 2-(3-pyridinyl)- are: (1)ACD/LogP: 2.45; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.31; (4)ACD/LogD (pH 7.4): -0.7; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 52.08 Å2; (13)Index of Refraction: 1.69; (14)Molar Refractivity: 71.79 cm3; (15)Molar Volume: 187.8 cm3; (16)Polarizability: 28.46×10-24 cm3; (17)Surface Tension: 65.7 dyne/cm; (18)Density: 1.332 g/cm3; (19)Flash Point: 245.2 °C; (20)Enthalpy of Vaporization: 78.65 kJ/mol; (21)Boiling Point: 481.9 °C at 760 mmHg; (22)Vapour Pressure: 4.27E-10 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)c1cc(nc2c1cccc2)c3cccnc3
(2) InChI: InChI=1/C15H10N2O2/c18-15(19)12-8-14(10-4-3-7-16-9-10)17-13-6-2-1-5-11(12)13/h1-9H,(H,18,19)
(3) InChIKey: XQNXXNNXRWYNAS-UHFFFAOYAA
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | subcutaneous | 620mg/kg (620mg/kg) | Cesko-Slovenska Farmacie. Vol. 15, Pg. 291, 1966. |