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3-Amino-2-chloro-5-methoxypyridine

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Name

3-Amino-2-chloro-5-methoxypyridine

EINECS N/A
CAS No. 720666-45-5 Density 1.311 g/cm3
PSA 48.14000 LogP 1.90700
Solubility N/A Melting Point N/A
Formula C6H7ClN2O Boiling Point 311.9 °C at 760 mmHg
Molecular Weight 158.59 Flash Point 142.4 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 720666-45-5 (3-Amino-2-chloro-5-methoxypyridine) Hazard Symbols N/A
Synonyms

3-Amino-2-chloro-5-methoxypyridine;

Article Data 3

3-Amino-2-chloro-5-methoxypyridine 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

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