3-Pyridinecarboxaldehyde,2-bromo-6-methyl- (853179-74-5)

The 2-Bromo-6-methylpyridine-3-carboxaldehyde with cas registry number of 853179-74-5, has the systematic name of 2-bromo-6-methyl-pyridine-3-carbaldehyde. And it is also called 3-pyridinecarboxaldehyde, 2-bromo-6-methyl-.

Physical properties about this chemical are: (1)ACD/LogP: 1.87; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.87; (4)ACD/LogD (pH 7.4): 1.87; (5)ACD/BCF (pH 5.5): 15.54; (6)ACD/BCF (pH 7.4): 15.54; (7)ACD/KOC (pH 5.5): 248.02; (8)ACD/KOC (pH 7.4): 248.02; (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: 43.61 cm³; (15)Molar Volume: 126.7 cm³; (16)Polarizability: 17.28×10^-24cm³; (17)Surface Tension: 48.5 dyne/cm; (18)Enthalpy of Vaporization: 51.19 kJ/mol; (19)Vapour Pressure: 0.0057 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
(1)SMILES: Cc1ccc(c(n1)Br)C=O
(2)InChI: InChI=1/C7H6BrNO/c1-5-2-3-6(4-10)7(8)9-5/h2-4H,1H3
(3)InChIKey: MQSSRBWNPRWQRS-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C7H6BrNO/c1-5-2-3-6(4-10)7(8)9-5/h2-4H,1H3
(5)Std. InChIKey: MQSSRBWNPRWQRS-UHFFFAOYSA-N