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| CAS No.: | 209328-70-1 |
|---|---|
| Name: | 2-AMINO-3-CHLORO-5-HYDROXYPYRIDINE |
| Molecular Structure: | |
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| Formula: | C5H5ClN2O |
| Molecular Weight: | 144.56 |
| Synonyms: | 2-Amino-3-chloro-5-hydroxypyridine; |
| Density: | 1.516 g/cm3 |
| Boiling Point: | 405.6 °C at 760 mmHg |
| Flash Point: | 199.1 °C |
| PSA: | 59.14000 |
| LogP: | 1.60400 |
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Specification
The 3-Pyridinol,6-amino-5-chloro-, with CAS registry number 209328-70-1, belongs to the following product category: Pyridine. It has the systematic name of 6-amino-5-chloropyridin-3-ol. Besides this, it is also called 2-Amino-3-chloro-5-hydroxypyridine. And the chemical formula of this chemical is C5H5ClN2O.
Physical properties of 3-Pyridinol,6-amino-5-chloro-: (1)ACD/LogP: 1.59; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.57; (4)ACD/LogD (pH 7.4): 1.3; (5)ACD/BCF (pH 5.5): 9.18; (6)ACD/BCF (pH 7.4): 4.9; (7)ACD/KOC (pH 5.5): 168.62; (8)ACD/KOC (pH 7.4): 90.06; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 59.14 Å2; (13)Index of Refraction: 1.664; (14)Molar Refractivity: 35.35 cm3; (15)Molar Volume: 95.3 cm3; (16)Polarizability: 14.01×10-24cm3; (17)Surface Tension: 72.4 dyne/cm; (18)Density: 1.516 g/cm3; (19)Flash Point: 199.1 °C; (20)Enthalpy of Vaporization: 68.28 kJ/mol; (21)Boiling Point: 405.6 °C at 760 mmHg; (22)Vapour Pressure: 3.69E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Oc1cnc(N)c(Cl)c1
(2)InChI: InChI=1/C5H5ClN2O/c6-4-1-3(9)2-8-5(4)7/h1-2,9H,(H2,7,8)
(3)InChIKey: WLPYIDGPFZGNPE-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C5H5ClN2O/c6-4-1-3(9)2-8-5(4)7/h1-2,9H,(H2,7,8)
(5)Std. InChIKey: WLPYIDGPFZGNPE-UHFFFAOYSA-N