2-Pyridinecarboxaldehyde,6-chloro- (54087-03-5)

The 6-Chloropyridine-2-carbaldehyde, with the CAS registry number 54087-03-5, is also known as 6-Chloropicolinaldehyde. This chemical's molecular formula is C₆H₄ClNO and molecular weight is 141.55. Its IUPAC name and systematic name are the same which is called 6-chloropyridine-2-carbaldehyde.

Physical properties of 6-Chloropyridine-2-carbaldehyde: (1)ACD/LogP: 1.32; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 6; (6)ACD/BCF (pH 7.4): 6; (7)ACD/KOC (pH 5.5): 125; (8)ACD/KOC (pH 7.4): 125; (9)#H bond acceptors: 2; (10)#Freely Rotating Bonds: 1; (11)Index of Refraction: 1.593; (12)Molar Refractivity: 35.992 cm³; (13)Molar Volume: 106.274 cm³; (14)Surface Tension: 49.824 dyne/cm; (15)Density: 1.332 g/cm³; (16)Melting Point: 68-69 °C; (17)Flash Point: 86.229 °C; (18)Enthalpy of Vaporization: 45.537 kJ/mol; (19)Boiling Point: 218.969 °C at 760 mmHg; (20)Vapour Pressure: 0.122 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=NC(=C1)Cl)C=O
(2)InChI: InChI=1S/C6H4ClNO/c7-6-3-1-2-5(4-9)8-6/h1-4H
(3)InChIKey: XTRLIKXVRGWTKW-UHFFFAOYSA-N