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5-Amino-2-methoxy-isonicotinic acid

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Name

5-Amino-2-methoxy-isonicotinic acid

EINECS N/A
CAS No. 183741-91-5 Density 1.384 g/cm3
PSA 85.44000 LogP 0.95180
Solubility N/A Melting Point 217-221℃
Formula C7H8N2O3 Boiling Point 469.5 °C at 760 mmHg
Molecular Weight 168.152 Flash Point 237.7 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 22-36/37/38
Molecular Structure Molecular Structure of 183741-91-5 (5-Amino-2-methoxy-isonicotinic acid) Hazard Symbols Xn
Synonyms

5-amino-2-methoxypyridine-4-carboxylic acid;

 

5-Amino-2-methoxy-isonicotinic acid 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

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