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| CAS No.: | 53512-10-0 |
|---|---|
| Name: | 4-Hydroxy-1,5-naphthyridine-3-carboxylic acid |
| Article Data: | 2 |
| Molecular Structure: | |
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| Formula: | C9H6N2O3 |
| Molecular Weight: | 190.158 |
| Synonyms: | 4-Hydroxy-1,5-naphthyridine-3-carboxylicacid; |
| EINECS: | 258-593-9 |
| Density: | 1.514 g/cm3 |
| Boiling Point: | 394 °C at 760 mmHg |
| Flash Point: | 192.1 °C |
| PSA: | 83.31000 |
| LogP: | 1.03360 |
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- 717878-06-31-(4-fluorophenyl)-4-nitro-1H-imidazole
- 914458-26-7[5-(2-fluorophenyl)-1-pentyl-1H-pyrrol-3-yl]-1-naphthalenyl-Methanone
- 548773-13-32-amino-4,6-dimethylpyrimidine-5-carboxylic acid
- Total:31 Page 1 of 1 1
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Specification
The 4-Hydroxy-1,5-naphthyridine-3-carboxylic acid, with the CAS registry number 53512-10-0, has the IUPAC name 4-oxo-1H-1,5-naphthyridine-3-carboxylic acid. Its molecular formula is C9H6N2O3 and its molecular weight is 190.16. Additionally, its EINECS is 258-593-9.
Other characteristics of the 4-Hydroxy-1,5-naphthyridine-3-carboxylic acid can be summarised as followings: (1)ACD/LogP: 0.79; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.22; (4)ACD/LogD (pH 7.4): -1.53; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 17.24; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 59.5 Å2; (13)Index of Refraction: 1.648; (14)Molar Refractivity: 45.7 cm3; (15)Molar Volume: 125.5 cm3; (16)Polarizability: 18.11×10-24cm3; (17)Surface Tension: 73.5 dyne/cm; (18)Density: 1.514 g/cm3; (19)Flash Point: 192.1 °C; (20)Enthalpy of Vaporization: 67.91 kJ/mol; (21)Boiling Point: 394 °C at 760 mmHg; (22)Vapour Pressure: 6.49E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=C\2c1ncccc1N/C=C/2C(=O)O
2.InChI: InChI=1/C9H6N2O3/c12-8-5(9(13)14)4-11-6-2-1-3-10-7(6)8/h1-4H,(H,11,12)(H,13,14)
3.InChIKey: LODIKMSUDZMCFF-UHFFFAOYAB