Name: 2,3-Dibromo-5-pyridinecarboxaldehyde
SKU: 1092349-81-9

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Basic Information

Molecular Structure:
CAS No.:	1092349-81-9
Name:	2,3-Dibromo-5-pyridinecarboxaldehyde

Formula:	C₆H₃Br₂NO
Molecular Weight:	264.90212
Synonyms:	3-Pyridinecarboxaldehyde,5,6-dibromo;2,3-Dibromo-5-pyridinecarboxaldehyde;5,6-dibromonicotinaldehyde;2,3-Dibromo-5-pyridinecarbaldehyde;
Density:	2.09 g/cm³
Boiling Point:	324.4 ºC at 760 mmHg
Flash Point:	150 ºC
PSA:	29.96000
LogP:	2.41910

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Specification

The 3-Pyridinecarboxaldehyde,5,6-dibromo-, with its CAS registry number 1092349-81-9, has the IUPAC name of 5,6-dibromopyridine-3-carbaldehyde. And it has the chemical formula of C₆H₃Br₂NO.

The physical properties of 3-Pyridinecarboxaldehyde,5,6-dibromo- are as below: (1)ACD/LogP: 2.11; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.11; (4)ACD/LogD (pH 7.4): 2.11 ; (5)#H bond acceptors: 2; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 1; (8)Polar Surface Area: 29.96; (9)Index of Refraction: 1.654; (10)Molar Refractivity: 46.47 cm³; (11)Molar Volume: 126.6 cm³; (12)Polarizability: 18.42×10^-24 cm³; (13)Surface Tension: 56.5 dyne/cm; (14)Density: 2.09 g/cm³; (15)Flash Point: 150 °C; (16)Enthalpy of Vaporization: 56.64 kJ/mol; (17)Boiling Point: 324.4 °C at 760 mmHg; (18)Vapour Pressure: 0.000246 mmHg at 25°C; (19)Exact Mass: 264.856092; (20)MonoIsotopic Mass: 262.858139; (21)Topological Polar Surface Area: 30; (22)Heavy Atom Count: 10; (23)Complexity: 131.

In addition, you could convert the following datas into the molecular structure:
(1)Canonical SMILES: C1=C(C=NC(=C1Br)Br)C=O
(2)InChI: InChI=1S/C6H3Br2NO/c7-5-1-4(3-10)2-9-6(5)8/h1-3H
(3)InChIKey: PJUYETROJZJHBO-UHFFFAOYSA-N