(3S)-3-(5-chloro-2-pyridinyl)-1,2-oxazolidine

C8H9ClN2O — CID 129188843

IUPAC(3S)-3-(5-chloro-2-pyridinyl)-1,2-oxazolidine
SMILESClc1ccc([C@@H]2CCON2)nc1
InChIInChI=1S/C8H9ClN2O/c9-6-1-2-7(10-5-6)8-3-4-12-11-8/h1-2,5,8,11H,3-4H2/t8-/m0/s1
InChIKeyIRKHQPFJXGSSSU-QMMMGPOBSA-N
MW184.63 g/mol
LogP1.70
Rot. Bonds1

About (3S)-3-(5-chloro-2-pyridinyl)-1,2-oxazolidine

(3S)-3-(5-chloro-2-pyridinyl)-1,2-oxazolidine (PubChem CID 129188843) has the molecular formula C8H9ClN2O and a molecular weight of 184.63 g/mol. Its IUPAC name is (3S)-3-(5-chloro-2-pyridinyl)-1,2-oxazolidine.

Molecular Properties

Compound Name(3S)-3-(5-chloro-2-pyridinyl)-1,2-oxazolidine
PubChem CID129188843
Molecular FormulaC8H9ClN2O
Molecular Weight184.63 g/mol
Exact Mass184.04
IUPAC Name(3S)-3-(5-chloro-2-pyridinyl)-1,2-oxazolidine
SMILESClc1ccc([C@@H]2CCON2)nc1
InChIInChI=1S/C8H9ClN2O/c9-6-1-2-7(10-5-6)8-3-4-12-11-8/h1-2,5,8,11H,3-4H2/t8-/m0/s1
InChIKeyIRKHQPFJXGSSSU-QMMMGPOBSA-N
XLogP1.70
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.63
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-(5-chloro-2-pyridinyl)-1,2-oxazolidine?
The IUPAC name of (3S)-3-(5-chloro-2-pyridinyl)-1,2-oxazolidine (CID 129188843) is (3S)-3-(5-chloro-2-pyridinyl)-1,2-oxazolidine.
What is the SMILES notation for (3S)-3-(5-chloro-2-pyridinyl)-1,2-oxazolidine?
The canonical SMILES for (3S)-3-(5-chloro-2-pyridinyl)-1,2-oxazolidine is Clc1ccc([C@@H]2CCON2)nc1.
What is the InChIKey of (3S)-3-(5-chloro-2-pyridinyl)-1,2-oxazolidine?
The InChIKey is IRKHQPFJXGSSSU-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H9ClN2O/c9-6-1-2-7(10-5-6)8-3-4-12-11-8/h1-2,5,8,11H,3-4H2/t8-/m0/s1.
What are the key properties of (3S)-3-(5-chloro-2-pyridinyl)-1,2-oxazolidine?
(3S)-3-(5-chloro-2-pyridinyl)-1,2-oxazolidine has a molecular weight of 184.63 g/mol, XLogP of 1.70, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(5-chloro-2-pyridinyl)-1,2-oxazolidine is sourced from PubChem (CID 129188843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).