Basic information
- Name:
1,8-Naphthyridine-3-carboxylicacid, 7-chloro-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-
- Superlist Name:
- 7-Chloro-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid
- CAS No.:
100361-18-0
- Molecular Structure:
- Formula:
- C12H8FClN2O3
- Molecular Weight:
- 282.66
- Synonyms:
- 3-Carboxy-7-chloro-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydro[1,8]naphthyridine;7-Chloro-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-1,8-naphthyridine-3-carboxylicacid;7-Chloro-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydro-[1,8]naphthyridine-3-carboxylicacid;1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-1,8-naphthylridine carboxylic acid;7-Chloro-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-1,8-naphthyridine-3-carboxylic acid;
- Density:
- 1.727 g/cm3
- Boiling Point:
- 485.919 °C at 760 mmHg
- Flash Point:
- 247.675 °C
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Specification
The 1,8-Naphthyridine-3-carboxylicacid, 7-chloro-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo-, with the CAS registry number 100361-18-0, has the systematic name of 7-chloro-1-cyclopropyl-6-fluoro-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxylic acid. And the molecular formula of this chemical is C12H8FClN2O3.
The physical properties of 1,8-Naphthyridine-3-carboxylicacid, 7-chloro-1-cyclopropyl-6-fluoro-1,4-dihydro-4-oxo- are as following: (1)ACD/LogP: 0.55; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/BCF (pH 5.5): 5; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 101; (7)ACD/KOC (pH 7.4): 5; (8)#H bond acceptors: 5; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 70.5 Å2; (12)Index of Refraction: 1.692; (13)Molar Refractivity: 62.69 cm3; (14)Molar Volume: 163.632 cm3; (15)Polarizability: 24.852×10-24cm3; (16)Surface Tension: 86.398 dyne/cm; (17)Density: 1.727 g/cm3; (18)Flash Point: 247.675 °C; (19)Enthalpy of Vaporization: 79.156 kJ/mol; (20)Boiling Point: 485.919 °C at 760 mmHg; (21)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)O)c3
(2)InChI: InChI=1/C12H8ClFN2O3/c13-10-8(14)3-6-9(17)7(12(18)19)4-16(5-1-2-5)11(6)15-10/h3-5H,1-2H2,(H,18,19)
(3)InChIKey: OXNZWNNMJBOZQO-UHFFFAOYAN
