1,8-Naphthyridine-3-carboxylic acid, 6-bromo-1,2,3,4-tetrahydro-2-oxo-, methyl ester supplier

Name
METHYL 6-BROMO-2-OXO-1,2,3,4-TETRAHYDRO-1,8-NAPHTHYRIDINE-3-CARBOXYLATE
EINECS
CAS No. 335031-10-2
Article Data6
CAS DataBase
Density 1.622 g/cm³
Solubility
Melting Point
Formula C₁₀H₉BrN₂O₃
Boiling Point 438.965 °C at 760 mmHg
Molecular Weight 285.097
Flash Point 219.279 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
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;
PSA 68.29000
LogP 1.26590

1,8-Naphthyridine-3-carboxylic acid, 6-bromo-1,2,3,4-tetrahydro-2-oxo-, methyl ester Specification

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

Product Name

METHYL 6-BROMO-2-OXO-1,2,3,4-TETRAHYDRO-1,8-NAPHTHYRIDINE-3-CARBOXYLATE

1,8-Naphthyridine-3-carboxylic acid, 6-bromo-1,2,3,4-tetrahydro-2-oxo-, methyl ester Specification

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