3-Nitro-1,5-naphthyridin-2(1H)-one supplier

Name
2-Hydroxy-3-nitro-1,5-naphthyridine
EINECS
CAS No. 64222-33-9
Article Data2
CAS DataBase
Density 1.589 g/cm³
Solubility
Melting Point
Formula C₈H₅N₃O₃
Boiling Point 390.017 °C at 760 mmHg
Molecular Weight 191.14
Flash Point 189.676 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Hydroxy-3-nitro-1,5-naphthyridine;3-Nitro-1,5-naphthyridin-2(1H)-one;3-nitro-1,5-naphthyridin-2-ol;
PSA
LogP

3-Nitro-1,5-naphthyridin-2(1H)-one Specification

The 3-Nitro-1,5-naphthyridin-2(1H)-one, with the cas registry number 64222-33-9, has the systematic name of 3-nitro-1,5-naphthyridin-2-ol. And the molecular formula of the chemical is C₈H₅N₃O₃.

The characteristics of this chemical are as followings: (1)ACD/LogP: 1.64; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 3; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 6; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 91.83Å²; (11)Index of Refraction: 1.744; (12)Molar Refractivity: 48.705 cm³; (13)Molar Volume: 120.268 cm³; (14)Polarizability: 19.308×10^-24cm³; (15)Surface Tension: 89.48 dyne/cm; (16)Density: 1.589 g/cm³; (17)Flash Point: 189.676 °C; (18)Enthalpy of Vaporization: 66.442 kJ/mol; (19)Boiling Point: 390.017 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: [O-][N+](=O)c1cc2ncccc2nc1O
(2)InChI: InChI=1/C8H5N3O3/c12-8-7(11(13)14)4-6-5(10-8)2-1-3-9-6/h1-4H,(H,10,12)
(3)InChIKey: CCTPWGBAGDYIHB-UHFFFAOYAL

Product Name

2-Hydroxy-3-nitro-1,5-naphthyridine

3-Nitro-1,5-naphthyridin-2(1H)-one Specification

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