1H-Pyrrolo[2,3-b]pyridine,3-chloro- (80235-01-4)

The 3-Chloro-7-azaindole, with the CAS registry number 80235-01-4, is also known as 3-Chloro-1H-pyrrolo[2,3-b]pyridine and 1H-Pyrrolo[2,3-b]pyridine, 3-chloro-. It belongs to the product category of Chiral Chemicals. This chemical's molecular formula is C₇H₅ClN₂ and molecular weight is 152.58. What's more, both its IUPAC name and systematic name are the same which is called 3-chloro-1H-pyrrolo[2,3-b]pyridine.

Physical properties about this chemical are: (1) ACD/LogP: 2.57; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 3; (4) ACD/LogD (pH 7.4): 3; (5) ACD/BCF (pH 5.5): 57; (6) ACD/BCF (pH 7.4): 58; (7) ACD/KOC (pH 5.5): 625; (8) ACD/KOC (pH 7.4): 636; (9) #H bond acceptors: 2; (10) #H bond donors: 1; (11) #Freely Rotating Bonds: 0; (12) Polar Surface Area: 28.68 Å²; (13) Index of Refraction: 1.703; (14) Molar Refractivity: 41.515 cm³; (15) Molar Volume: 107.046 cm³; (16) Surface Tension: 62.289 dyne/cm; (17) Density: 1.425 g/cm³; (18) Flash Point: 171.662 °C; (19) Enthalpy of Vaporization: 53.107 kJ/mol; (20) Boiling Point: 312.149 °C at 760 mmHg; (21) Vapour Pressure: 0.001 mmHg at 25 °C; (22) Melting point: 168-170 °C.

When you are dealing with 3-Chloro-7-azaindole, you should be very careful. This chemical is irritating to eyes, respiratory system and may cause inflammation to the skin or other mucous membranes. It is harmful, if is swallowed that may cause damage to your health. Therefore, you should wear eye/face protection and if in case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: C1=CC2=C(NC=C2Cl)N=C1
(2) InChI: InChI=1S/C7H5ClN2/c8-6-4-10-7-5(6)2-1-3-9-7/h1-4H,(H,9,10)
(3) InChIKey: PKFDDUMFTQHVFY-UHFFFAOYSA-N