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8-Bromo-1,6-naphthyridin-5(6H)-one

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Name

8-Bromo-1,6-naphthyridin-5(6H)-one

EINECS N/A
CAS No. 155057-97-9 Density 1.763 g/cm3
PSA 45.75000 LogP 1.68560
Solubility N/A Melting Point 247-251 °C(Solv: water (7732-18-5))
Formula C8H5BrN2O Boiling Point 451.138 °C at 760 mmHg
Molecular Weight 225.044 Flash Point 226.64 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 155057-97-9 (8-Bromo-1,6-naphthyridin-5(6H)-one) Hazard Symbols IrritantXi
Synonyms

ZINC00018288;

Article Data 4

8-Bromo-1,6-naphthyridin-5(6H)-one Specification

The 8-Bromo-1,6-naphthyridin-5(6H)-one, with the CAS registry number 155057-97-9, is also known as ZINC00018288. This chemical's molecular formula is C8H5BrN2O and molecular weight is 225.0421. Its IUPAC name is called 8-bromo-6H-1,6-naphthyridin-5-one. When you are using this chemical, please be cautious about it. This chemical may cause inflammation to the skin or other mucous membranes.

Physical properties of 8-Bromo-1,6-naphthyridin-5(6H)-one: (1)ACD/LogP: 2.42; (2)ACD/LogD (pH 5.5): 2; (3)ACD/LogD (pH 7.4): 2; (4)ACD/BCF (pH 5.5): 40; (5)ACD/BCF (pH 7.4): 40; (6)ACD/KOC (pH 5.5): 491; (7)ACD/KOC (pH 7.4): 487; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)Index of Refraction: 1.665; (11)Molar Refractivity: 47.383 cm3; (12)Molar Volume: 127.664 cm3; (13)Surface Tension: 61.993 dyne/cm; (14)Density: 1.763 g/cm3; (15)Flash Point: 226.64 °C; (16)Enthalpy of Vaporization: 71.013 kJ/mol; (17)Boiling Point: 451.138 °C at 760 mmHg; (18)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC2=C(C(=CNC2=O)Br)N=C1
(2)InChI: InChI=1S/C8H5BrN2O/c9-6-4-11-8(12)5-2-1-3-10-7(5)6/h1-4H,(H,11,12)
(3)InChIKey: WYXKOZHBOLUXGU-UHFFFAOYSA-N

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