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2-Amino-3-hydroxy-5-chloropyridine

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Name

2-Amino-3-hydroxy-5-chloropyridine

EINECS N/A
CAS No. 40966-87-8 Density 1.516 g/cm3
PSA 59.14000 LogP 1.60400
Solubility N/A Melting Point 198-201 °C
Formula C5H5ClN2O Boiling Point 383.7 °C at 760 mmHg
Molecular Weight 144.56 Flash Point 185.9 °C
Transport Information N/A Appearance N/A
Safety 36/37 Risk Codes 22-43
Molecular Structure Molecular Structure of 40966-87-8 (2-Amino-3-hydroxy-5-chloropyridine) Hazard Symbols Xn
Synonyms

3-Pyridinol, 2-amino-5-chloro-;

 

2-Amino-3-hydroxy-5-chloropyridine Specification

The 2-Amino-3-hydroxy-5-chloropyridine, with the CAS registry number 40966-87-8, is also known as 3-Pyridinol, 2-amino-5-chloro-. This chemical's molecular formula is C5H5ClN2O and formula weight is 144.56. What's more, its IUPAC name and systematic name are the same which is called 2-amino-5-chloropyridin-3-ol.

Physical properties about 2-Amino-3-hydroxy-5-chloropyridine are: (1)ACD/LogP: 2.16; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.03; (4)ACD/LogD (pH 7.4): 1.63; (5)ACD/BCF (pH 5.5): 19.18; (6)ACD/BCF (pH 7.4): 7.59; (7)ACD/KOC (pH 5.5): 264.85; (8)ACD/KOC (pH 7.4): 104.83; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.664; (13)Molar Refractivity: 35.35 cm3; (14)Molar Volume: 95.3 cm3; (15)Surface Tension: 72.4 dyne/cm; (16)Density: 1.516 g/cm3; (17)Flash Point: 185.9 °C; (18)Melting Point: 198-201 °C; (19)Enthalpy of Vaporization: 65.7 kJ/mol; (20)Boiling Point: 383.7 °C at 760 mmHg; (21)Vapour Pressure: 1.95E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=C(C(=NC=C1Cl)N)O
(2)InChI: InChI=1S/C5H5ClN2O/c6-3-1-4(9)5(7)8-2-3/h1-2,9H,(H2,7,8)
(3)InChIKey: BMRXXBXPVJOAMM-UHFFFAOYSA-N

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