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CAS No.: | 180340-70-9 |
---|---|
Name: | Methyl 6-amino-5-bromonicotinate |
Article Data: | 10 |
Molecular Structure: | |
Formula: | C7H7BrN2O2 |
Molecular Weight: | 231.049 |
Synonyms: | methyl 6-amino-5-bromo-1H-pyridine-3-carboxylate; |
Density: | 1.662 g/cm3 |
Melting Point: | 166-168 °C |
Boiling Point: | 323.691 °C at 760 mmHg |
Flash Point: | 149.563 °C |
Hazard Symbols: | Xi |
Risk Codes: | Xi:Irritant; "> Xi:Irritant; |
PSA: | 65.21000 |
LogP: | 1.79410 |
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This chemical is called Methyl 6-amino-5-bromonicotinate, and it can also be named as 3-pyridinecarboxylic acid, 6-amino-5-bromo-, methyl ester. With the molecular formula of C7H7BrN2O2, its molecular weight is 231.05. The CAS registry number of this chemical is 180340-70-9, and its product categories are Amines; Blocks; Bromides; Carboxes; Pyridines; Esters; Pyridine.
Other characteristics of the Methyl 6-amino-5-bromonicotinate can be summarised as followings: (1)ACD/LogP: 2.69; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.69; (4)ACD/LogD (pH 7.4): 2.69; (5)ACD/BCF (pH 5.5): 65.58; (6)ACD/BCF (pH 7.4): 65.6; (7)ACD/KOC (pH 5.5): 695.03; (8)ACD/KOC (pH 7.4): 695.26; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 42.43 Å2; (13)Index of Refraction: 1.607; (14)Molar Refractivity: 48.04 cm3; (15)Molar Volume: 139 cm3; (16)Polarizability: 19.04×10-24cm3; (17)Surface Tension: 57.3 dyne/cm; (18)Density: 1.662 g/cm3; (19)Flash Point: 149.6 °C; (20)Enthalpy of Vaporization: 56.57 kJ/mol; (21)Boiling Point: 323.7 °C at 760 mmHg; (22)Vapour Pressure: 0.000258 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: Brc1cc(C(=O)OC)cnc1N
2.InChI: InChI=1/C7H7BrN2O2/c1-12-7(11)4-2-5(8)6(9)10-3-4/h2-3H,1H3,(H2,9,10)
3.InChIKey: LNTAAMVZKGYIIA-UHFFFAOYAC