CAS No.376587-53-0,5-BROMO-3-METHYL-2-PYRIDINECARBALDEHYDE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	376587-53-0
Name:	5-BROMO-3-METHYL-2-PYRIDINECARBALDEHYDE
Article Data:	7

Formula:	C₇H₆BrNO
Molecular Weight:	200.035
Synonyms:	5-Bromo-3-methyl-2-pyridinecarboxaldehyde;2-pyridinecarboxaldehyde, 5-bromo-3-methyl-;5-bromo-3-methylpicolinaldehyde;5-Bromo-3-methylpyridine-2-carbaldehyde;5-Bromo-2-formyl-3-picoline;5-Bromo-3-methyl-2-pyridinecarbaldehyde;
EINECS:	200-589-5
Density:	1.578 g/cm³
Boiling Point:	260.929 °C at 760 mmHg
Flash Point:	111.606 °C
PSA:	29.96000
LogP:	1.96500

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Specification

The 2-Pyridinecarboxaldehyde,5-bromo-3-methyl-, with the CAS registry number 376587-53-0, has the systematic name and IUPAC name of 5-bromo-3-methylpyridine-2-carbaldehyde. It belongs to the following product categories: Pyridine; Pharmacetical; Building Blocks. And the molecular formula of the chemical is C₇H₆BrNO.

The characteristics of 2-Pyridinecarboxaldehyde,5-bromo-3-methyl- are as followings: (1)ACD/LogP: 1.95; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 23; (6)ACD/BCF (pH 7.4): 23; (7)ACD/KOC (pH 5.5): 324; (8)ACD/KOC (pH 7.4): 324; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 29.96 Å²; (13)Index of Refraction: 1.604; (14)Molar Refractivity: 43.612 cm³; (15)Molar Volume: 126.783 cm³; (16)Polarizability: 17.289×10^-24cm³; (17)Surface Tension: 48.524 dyne/cm; (18)Density: 1.578 g/cm³; (19)Flash Point: 111.606 °C; (20)Enthalpy of Vaporization: 49.864 kJ/mol; (21)Boiling Point: 260.929 °C at 760 mmHg; (22)Vapour Pressure: 0.012 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Cc1cc(Br)cnc1C=O
(2)InChI: InChI=1/C7H6BrNO/c1-5-2-6(8)3-9-7(5)4-10/h2-4H,1H3
(3)InChIKey: GLMJIYLGQMKLCL-UHFFFAOYAE