4-Chloro-1H-pyrrolo[2,3-b]pyridine-5-carbaldehyde (958230-19-8)

The 4-Chloro-1H-pyrrolo[2,3-b]pyridine-5-carbaldehyde is an organic compound with the formulaC₈H₅ClN₂O . The systematic/IUPAC name of this chemical is 4-chloro-1H-pyrrolo[2,3-b]pyridine-5-carbaldehyde. With the CAS registry number 958230-19-8, it is also named as 1H-pyrrolo[2,3-b]pyridine-5-carboxaldehyde, 4-chloro-.

Physical properties about 4-Chloro-1H-pyrrolo[2,3-b]pyridine-5-carbaldehyde are: (1)ACD/LogP: 2.50; (2)ACD/LogD (pH 5.5): 2.495; (3)ACD/LogD (pH 7.4): 2.496; (4)ACD/BCF (pH 5.5): 46.35; (5)ACD/BCF (pH 7.4): 46.476; (6)ACD/KOC (pH 5.5): 541.786; (7)ACD/KOC (pH 7.4): 543.259; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 45.75 Å²; (12)Index of Refraction: 1.748; (13)Molar Refractivity: 48.268 cm³; (14)Molar Volume: 118.712 cm³; (15)Polarizability: 19.135×10^-24cm³; (16)Surface Tension: 71.986 dyne/cm; (17)Density: 1.521 g/cm³.

You can still convert the following datas into molecular structure:
(1)SMILES: c1c[nH]c2c1c(c(cn2)C=O)Cl
(2)InChI: InChI=1/C8H5ClN2O/c9-7-5(4-12)3-11-8-6(7)1-2-10-8/h1-4H,(H,10,11)
(3)InChIKey: SVRMXFJXIGCKII-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C8H5ClN2O/c9-7-5(4-12)3-11-8-6(7)1-2-10-8/h1-4H,(H,10,11)
(5)Std. InChIKey: SVRMXFJXIGCKII-UHFFFAOYSA-N