Name: (2S)-5-BROMO-3-(2-PYRROLIDINYL)PYRIDINE
SKU: 83023-58-9

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Basic Information

Molecular Structure:
CAS No.:	83023-58-9
Name:	(2S)-5-BROMO-3-(2-PYRROLIDINYL)PYRIDINE
Article Data:	5

Formula:	C₉H₁₁BrN₂
Molecular Weight:	227.104
Synonyms:	Pyridine,3-bromo-5-(2-pyrrolidinyl)-, (S)-;5-Bromonornicotine;
Density:	1.434 g/cm³
Boiling Point:	295.4 °C at 760 mmHg
Flash Point:	132.5 °C
PSA:	24.92000
LogP:	2.59740

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Specification

The Pyridine, 3-bromo-5-(2S)-2-pyrrolidinyl-, with the CAS registry number 83023-58-9, is also known as (2S)-5-Bromo-3-(2-pyrrolidinyl)pyridine. This chemical's molecular formula is C₉H₁₁BrN₂ and molecular weight is 227.10. What's more, its systematic name is 3-Bromo-5-[(2S)-pyrrolidin-2-yl]pyridine.

Physical properties about Pyridine, 3-bromo-5-(2S)-2-pyrrolidinyl- are: (1)ACD/LogP: 1.31; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.76; (4)ACD/LogD (pH 7.4): -0.96; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 16.13 Å²; (13)Index of Refraction: 1.57; (14)Molar Refractivity: 52.02 cm³; (15)Molar Volume: 158.3 cm³; (16)Polarizability: 20.62×10^-24 cm³; (17)Surface Tension: 45.3 dyne/cm; (18)Density: 1.434 g/cm³; (19)Flash Point: 132.5 °C; (20)Enthalpy of Vaporization: 53.51 kJ/mol; (21)Boiling Point: 295.4 °C at 760 mmHg; (22)Vapour Pressure: 0.00153 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Brc1cncc(c1)[C@H]2NCCC2
(2) InChI: InChI=1/C9H11BrN2/c10-8-4-7(5-11-6-8)9-2-1-3-12-9/h4-6,9,12H,1-3H2/t9-/m0/s1
(3) InChIKey: APOQHGHGEPQGOO-VIFPVBQEBD