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| CAS No.: | 183741-91-5 |
|---|---|
| Name: | 5-Amino-2-methoxy-isonicotinic acid |
| Molecular Structure: | |
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| Formula: | C7H8N2O3 |
| Molecular Weight: | 168.152 |
| Synonyms: | 5-amino-2-methoxypyridine-4-carboxylic acid; |
| Density: | 1.384 g/cm3 |
| Melting Point: | 217-221℃ |
| Boiling Point: | 469.5 °C at 760 mmHg |
| Flash Point: | 237.7 °C |
| Hazard Symbols: | Xn |
| Risk Codes: | 22-36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 85.44000 |
| LogP: | 0.95180 |
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Specification
The 5-Amino-2-methoxypyridine-4-carboxylic acid, with CAS registry number 183741-91-5, belongs to the following product categories: (1)Pharmacetical; (2)API intermediates; (3)Pyridines. It has the systematic name of 5-amino-2-methoxypyridine-4-carboxylic acid. And the chemical formula of this chemical is C7H8N2O3.
Physical properties of 5-Amino-2-methoxypyridine-4-carboxylic acid: (1)ACD/LogP: 1.09; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.67; (4)ACD/LogD (pH 7.4): -1.94; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1.61; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 51.66 Å2; (13)Index of Refraction: 1.611; (14)Molar Refractivity: 42.18 cm3; (15)Molar Volume: 121.4 cm3; (16)Polarizability: 16.72×10-24cm3; (17)Surface Tension: 65.8 dyne/cm; (18)Enthalpy of Vaporization: 77.1 kJ/mol; (19)Vapour Pressure: 1.29E-09 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c1c(cnc(OC)c1)N
(2)InChI: InChI=1/C7H8N2O3/c1-12-6-2-4(7(10)11)5(8)3-9-6/h2-3H,8H2,1H3,(H,10,11)
(3)InChIKey: BFYPMZJYCXUXFW-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C7H8N2O3/c1-12-6-2-4(7(10)11)5(8)3-9-6/h2-3H,8H2,1H3,(H,10,11)
(5)Std. InChIKey: BFYPMZJYCXUXFW-UHFFFAOYSA-N