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Name |
1,8-Naphthyridine-3-carboxylic acid, 6-bromo-1,2,3,4-tetrahydro-2-oxo-, methyl ester |
EINECS | N/A |
CAS No. | 335031-10-2 | Density | 1.622 g/cm3 |
PSA | 68.29000 | LogP | 1.26590 |
Solubility | N/A | Melting Point |
N/A |
Formula | C10H9BrN2O3 | Boiling Point | 438.965 °C at 760 mmHg |
Molecular Weight | 285.097 | Flash Point | 219.279 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Methyl 6-bromo-2-oxo-2,3,4,8-tetrahydro-1,8-naphthyridine-3-carboxylate;methyl 6-bromo-2-oxo-1,2,3,4-tetrahydro-1,8-naphthyridine-3-carboxylate;Methyl 6-bromo-2-oxo-2,3,4,8-tetrahydro-1,8-naphthyridine-3-carboxylate; |
Article Data | 6 |
The 1,8-Naphthyridine-3-carboxylic acid, 6-bromo-1,2,3,4-tetrahydro-2-oxo-, methyl ester, with the CAS registry number 335031-10-2, has the systematic name of methyl 6-bromo-2-oxo-1,2,3,4-tetrahydro-1,8-naphthyridine-3-carboxylate. And the molecular formula of this chemical is C10H9BrN2O3. In addition, it is used as intermediate in the production of fabi inhibitors.
The physical properties of 1,8-Naphthyridine-3-carboxylic acid, 6-bromo-1,2,3,4-tetrahydro-2-oxo-, methyl ester are as following: (1)ACD/LogP: 0.28; (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): 15; (6)ACD/BCF (pH 7.4): 15; (7)ACD/KOC (pH 5.5): 243; (8)ACD/KOC (pH 7.4): 244; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 68.29 Å2; (13)Index of Refraction: 1.582; (14)Molar Refractivity: 58.638 cm3; (15)Molar Volume: 175.814 cm3; (16)Polarizability: 23.246×10-24cm3; (17)Surface Tension: 53.807 dyne/cm; (18)Density: 1.622 g/cm3; (19)Flash Point: 219.279 °C; (20)Enthalpy of Vaporization: 69.584 kJ/mol; (21)Boiling Point: 438.965 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cnc2c(c1)CC(C(=O)N2)C(=O)OC
(2)InChI: InChI=1/C10H9BrN2O3/c1-16-10(15)7-3-5-2-6(11)4-12-8(5)13-9(7)14/h2,4,7H,3H2,1H3,(H,12,13,14)
(3)InChIKey: LEMXGMUEKGWKPR-UHFFFAOYAB