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213764-92-2
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Basic Information
CAS No.: 213764-92-2
Name: (S)-5-Iodo-3-[(2-azetidinyl)-methoxy]pyridine
Molecular Structure:
Molecular Structure of 213764-92-2 ((S)-5-Iodo-3-[(2-azetidinyl)-methoxy]pyridine)
Formula: C9H13Cl2IN2O
Molecular Weight: 363.03
Synonyms: Pyridine, 3-[(2S)-2-azetidinylmethoxy]-5-iodo-, hydrochloride (1:2);
Boiling Point: 425.2 °C at 760 mmHg
Flash Point: 210.9 °C
PSA: 34.15000
LogP: 3.35970
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Specification

The (S)-5-Iodo-3-[(2-azetidinyl)-methoxy]pyridine, with the CAS registry number of 213764-92-2, is also known as Pyridine, 3-[(2S)-2-azetidinylmethoxy]-5-iodo-, hydrochloride (1:2). This chemical's molecular formula is C9H13Cl2IN2O and molecular weight is 363.0228. What's more, its systematic name is 3-[[(2S)-Azetidin-2-yl]methoxy]-5-iodo-pyridine dihydrochloride.

Physical properties about the (S)-5-Iodo-3-[(2-azetidinyl)-methoxy]pyridine are: (1)ACD/LogP: 1.24; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 34.15 Å2; (7)Flash Point: 210.9 °C; (8)Enthalpy of Vaporization: 69.29 kJ/mol; (9)Boiling Point: 425.2 °C at 760 mmHg; (10)Vapour Pressure: 1.24E-07 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: c1c(cncc1I)OCC2CCN2.Cl.Cl
(2) InChI: InChI=1/C9H11IN2O.2ClH/c10-7-3-9(5-11-4-7)13-6-8-1-2-12-8;;/h3-5,8,12H,1-2,6H2;2*1H/t8-;;/m0../s1
(3) InChIKey: ZJVVFYWEBSHGBV-JZGIKJSDBD