Name: 5-BROMO-2-CARBOXY-3-METHYLPYRIDINE
SKU: 886365-43-1

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Basic Information

Molecular Structure:
CAS No.:	886365-43-1
Name:	5-BROMO-2-CARBOXY-3-METHYLPYRIDINE
Article Data:	3

Formula:	C₇H₆BrNO₂
Molecular Weight:	216.03204
Synonyms:	5-Bromo-2-carboxy-3-methylpyridine;5-Bromo-3-methylpyridine-2-carboxylicacid;
EINECS:	200-258-5
Density:	1.692 g/cm³
Boiling Point:	330.5 °C at 760 mmHg
Flash Point:	153.7 °C
PSA:	50.19000
LogP:	1.85070

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Specification

The 2-Pyridinecarboxylicacid, 5-bromo-3-methyl-, with CAS registry number 886365-43-1, belongs to the following product category: Pyridine. It has the systematic name of 5-Bromo-3-methylpyridine-2-carboxylic acid. And the chemical formula of this chemical is C₇H₆BrNO₂.

Physical properties of 2-Pyridinecarboxylicacid, 5-bromo-3-methyl-: (1)ACD/LogP: 1.58; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1.56; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 50.19 Å²; (11)Index of Refraction: 1.602; (12)Molar Refractivity: 43.78 cm³; (13)Molar Volume: 127.6 cm³; (14)Polarizability: 17.35×10^-24cm³; (15)Surface Tension: 57.6 dyne/cm; (16)Density: 1.692 g/cm³; (17)Flash Point: 153.7 °C; (18)Enthalpy of Vaporization: 60.49 kJ/mol; (19)Boiling Point: 330.5 °C at 760 mmHg; (20)Vapour Pressure: 6.63E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cc1cc(cnc1C(=O)O)Br
(2)InChI: InChI=1/C7H6BrNO2/c1-4-2-5(8)3-9-6(4)7(10)11/h2-3H,1H3,(H,10,11)
(3)InChIKey: GSOCTKHBFREQCV-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C7H6BrNO2/c1-4-2-5(8)3-9-6(4)7(10)11/h2-3H,1H3,(H,10,11)
(5)Std. InChIKey: GSOCTKHBFREQCV-UHFFFAOYSA-N