4-Quinolinecarboxylicacid, 2-(3-pyridinyl)- supplier

Name
2-PYRIDIN-3-YL-QUINOLINE-4-CARBOXYLIC ACID
EINECS
CAS No. 7482-91-9
Article Data10
CAS DataBase
Density 1.332 g/cm³
Solubility
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
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms 2-(3-Pyridyl)-4-quinolinecarboxylic acid;
PSA 63.08000
LogP 2.99500

4-Quinolinecarboxylicacid, 2-(3-pyridinyl)- Specification

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.

Product Name

2-PYRIDIN-3-YL-QUINOLINE-4-CARBOXYLIC ACID

4-Quinolinecarboxylicacid, 2-(3-pyridinyl)- Specification

Related Products

Hot Products