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3-Amino-6-bromo-2-pyridinecarboxylic acid

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Name

3-Amino-6-bromo-2-pyridinecarboxylic acid

EINECS N/A
CAS No. 1052708-46-9 Density 1.91 g/cm3
PSA 76.21000 LogP 1.70570
Solubility N/A Melting Point N/A
Formula C6H5BrN2O2 Boiling Point 412.215 °C at 760 mmHg
Molecular Weight 217.022 Flash Point 203.101 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 1052708-46-9 (3-aMino-6-broMo-2-pyridinecarboxylic acid) Hazard Symbols N/A
Synonyms

3-Amino-6-bromopyridine-2-carboxylic acid;

Article Data 4

3-Amino-6-bromo-2-pyridinecarboxylic acid Specification

The 3-Amino-6-bromo-2-pyridinecarboxylic acid, with the CAS registry number 1052708-46-9, is also known as 3-Amino-6-bromopicolinic acid. This chemical's molecular formula is C6H5BrN2O2 and molecular weight is 217.02. What's more, its IUPAC name is called 3-Amino-6-bromopyridine-2-carboxylic acid.

Physical properties about 3-Amino-6-bromo-2-pyridinecarboxylic acid are: (1)ACD/LogP: 0.947; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.94; (4)ACD/LogD (pH 7.4): -2.12; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.01; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 76.21 Å2; (13)Index of Refraction: 1.685; (14)Molar Refractivity: 43.2 cm3; (15)Molar Volume: 113.652 cm3; (16)Polarizability: 17.126×10-24cm3; (17)Surface Tension: 79.982 dyne/cm; (18)Density: 1.91 g/cm3; (19)Flash Point: 203.101 °C; (20)Enthalpy of Vaporization: 70.096 kJ/mol; (21)Boiling Point: 412.215 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: c1cc(nc(c1N)C(=O)O)Br
(2) InChI: InChI=1S/C6H5BrN2O2/c7-4-2-1-3(8)5(9-4)6(10)11/h1-2H,8H2,(H,10,11)
(3) InChIKey: HXBNYDVCPBSMTF-UHFFFAOYSA-N

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