Basic information
- Name:
1,8-Naphthyridine-3-carboxylicacid, 7-chloro-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-, ethyl ester
- Superlist Name:
- Ethyl 1-Cyclopropyl-7-chloro-6-fluoro-1,4-dihydro-4-oxo-1,8-naphthylridine carboxylate
- CAS No.:
96568-07-9
- Molecular Structure:
- Formula:
- C14H12ClFN2O3
- Molecular Weight:
- 310.71
- Synonyms:
- 7-Chloro-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-1,8-naphthyridine-3-carboxylicacid ethyl ester;1,8-naphthyridine-3-carboxylic acid, 7-chloro-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-, ethyl ester;Ethyl 7-chloro-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylate;Ethyl-7-chlor-1-cyclopropyl-6-fluor-4-oxo-1,4-dihydro-1,8-naphthyridin-3-carboxylate;
- Density:
- 1.512 g/cm3
- Boiling Point:
- 464.205 °C at 760 mmHg
- Flash Point:
- 234.543 °C
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Specification
The 1,8-Naphthyridine-3-carboxylicacid, 7-chloro-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-, ethyl ester, with the CAS registry number 96568-07-9, has the systematic name of ethyl 7-chloro-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylate. And the molecular formula of this chemical is C14H12ClFN2O3.
The physical properties of 1,8-Naphthyridine-3-carboxylicacid, 7-chloro-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-, ethyl ester are as following: (1)ACD/LogP: 1.64; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 11; (6)ACD/BCF (pH 7.4): 11; (7)ACD/KOC (pH 5.5): 197; (8)ACD/KOC (pH 7.4): 197; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 59.5 Å2; (13)Index of Refraction: 1.62; (14)Molar Refractivity: 72.166 cm3; (15)Molar Volume: 205.502 cm3; (16)Polarizability: 28.609 ×10-24cm3; (17)Surface Tension: 64.486 dyne/cm; (18)Density: 1.512 g/cm3; (19)Flash Point: 234.543 °C; (20)Enthalpy of Vaporization: 72.558 kJ/mol; (21)Boiling Point: 464.205 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Fc3c(Cl)nc1c(C(=O)\C(=C/N1C2CC2)C(=O)OCC)c3
(2)InChI: InChI=1/C14H12ClFN2O3/c1-2-21-14(20)9-6-18(7-3-4-7)13-8(11(9)19)5-10(16)12(15)17-13/h5-7H,2-4H2,1H3
(3)InChIKey: RWCZOVMOKFTUAD-UHFFFAOYAL
