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| CAS No.: | 720666-45-5 |
|---|---|
| Name: | 3-Amino-2-chloro-5-methoxypyridine |
| Molecular Structure: | |
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| Formula: | C6H7ClN2O |
| Molecular Weight: | 158.59 |
| Synonyms: | 3-Amino-2-chloro-5-methoxypyridine; |
| Density: | 1.311 g/cm3 |
| Boiling Point: | 311.9 °C at 760 mmHg |
| Flash Point: | 142.4 °C |
| PSA: | 48.14000 |
| LogP: | 1.90700 |
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- Total:31 Page 1 of 1 1
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Specification
The systematic name of 3-Amino-2-chloro-5-methoxypyridine is 2-Chloro-5-methoxypyridin-3-amine. With the CAS registry number 720666-45-5, it is also named as 3-Pyridinamine,2-chloro-5-methoxy-. In addition, its molecular formula is C6H7ClN2O and its molecular weight is 158.59.
The other characteristics of 3-Amino-2-chloro-5-methoxypyridine can be summarized as: (1)ACD/LogP: 1.45; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.45; (4)ACD/LogD (pH 7.4): 1.45; (5)ACD/BCF (pH 5.5): 7.5; (6)ACD/BCF (pH 7.4): 7.5; (7)ACD/KOC (pH 5.5): 147.22; (8)ACD/KOC (pH 7.4): 147.23; (9)H bond acceptors: 3; (10)H bond donors: 2; (11)Freely Rotating Bonds: 2; (12)Polar Surface Area: 48.14 Å2; (13)Index of Refraction: 1.578; (14)Molar Refractivity: 40.15 cm3; (15)Molar Volume: 120.8 cm3; (16)Polarizability: 15.91×10-24cm3; (17)Surface Tension: 48.9 dyne/cm; (18)Density: 1.311 g/cm3; (19)Flash Point: 142.4 °C; (20)Enthalpy of Vaporization: 55.28 kJ/mol; (21)Boiling Point: 311.9 °C at 760 mmHg; (22)Vapour Pressure: 0.000548 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES:Nc1cc(OC)cnc1Cl
(2)InChI:InChI=1/C6H7ClN2O/c1-10-4-2-5(8)6(7)9-3-4/h2-3H,8H2,1H3
(3)InChIKey:YSVYALRSRXUGTC-UHFFFAOYAT
(4)Std. InChI:InChI=1S/C6H7ClN2O/c1-10-4-2-5(8)6(7)9-3-4/h2-3H,8H2,1H3
(5)Std. InChIKey:YSVYALRSRXUGTC-UHFFFAOYSA-N