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810668-57-6

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Basic Information
CAS No.: 810668-57-6
Name: 2-chloro-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine
Molecular Structure:
Molecular Structure of 810668-57-6 (2-chloro-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine)
Formula: C7H7ClN2
Molecular Weight: 154.599
Synonyms: 2-Chloro-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine;
Density: 1.291 g/cm3
Melting Point: 194-195 °C
Boiling Point: 255.6 °C at 760 mmHg
Flash Point: 108.4 °C
PSA: 24.92000
LogP: 1.66700
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Specification

The 2-Chloro-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine with the CAS number 810668-57-6 is also called 5H-Pyrrolo[3,4-b]pyridine,2-chloro-6,7-dihydro-. Its molecular formula is C7H7ClN2. The product category is Chiral Chemicals. This chemical is a kind of organics. It should be stored in dry and cool environment.

The properties of the 2-Chloro-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine are: (1)ACD/LogP: 0.19; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.02; (4)ACD/LogD (pH 7.4): 0.18; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 20.31; (8)ACD/KOC (pH 7.4): 29.86; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 16.13Å2; (13)Index of Refraction: 1.585; (14)Molar Refractivity: 40.14 cm3; (15)Molar Volume: 119.7 cm3; (16)Polarizability: 15.91×10-24cm3; (17)Surface Tension: 48.6 dyne/cm; (18)Enthalpy of Vaporization: 49.3 kJ/mol; (19)Vapour Pressure: 0.0162 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1nc2c(cc1)CNC2
(2)InChI: InChI=1/C7H7ClN2/c8-7-2-1-5-3-9-4-6(5)10-7/h1-2,9H,3-4H2
(3)InChIKey: MSLXPRCFQNRAPN-UHFFFAOYAO