(3S)-3-(5-fluoro-6-methyl-3-pyridinyl)-1,2-oxazolidine

C9H11FN2O — CID 129188710

IUPAC(3S)-3-(5-fluoro-6-methyl-3-pyridinyl)-1,2-oxazolidine
SMILESCc1ncc([C@@H]2CCON2)cc1F
InChIInChI=1S/C9H11FN2O/c1-6-8(10)4-7(5-11-6)9-2-3-13-12-9/h4-5,9,12H,2-3H2,1H3/t9-/m0/s1
InChIKeyMRTRHRNGRSZLRB-VIFPVBQESA-N
MW182.20 g/mol
LogP1.50
Rot. Bonds1

About (3S)-3-(5-fluoro-6-methyl-3-pyridinyl)-1,2-oxazolidine

(3S)-3-(5-fluoro-6-methyl-3-pyridinyl)-1,2-oxazolidine (PubChem CID 129188710) has the molecular formula C9H11FN2O and a molecular weight of 182.20 g/mol. Its IUPAC name is (3S)-3-(5-fluoro-6-methyl-3-pyridinyl)-1,2-oxazolidine.

Molecular Properties

Compound Name(3S)-3-(5-fluoro-6-methyl-3-pyridinyl)-1,2-oxazolidine
PubChem CID129188710
Molecular FormulaC9H11FN2O
Molecular Weight182.20 g/mol
Exact Mass182.09
IUPAC Name(3S)-3-(5-fluoro-6-methyl-3-pyridinyl)-1,2-oxazolidine
SMILESCc1ncc([C@@H]2CCON2)cc1F
InChIInChI=1S/C9H11FN2O/c1-6-8(10)4-7(5-11-6)9-2-3-13-12-9/h4-5,9,12H,2-3H2,1H3/t9-/m0/s1
InChIKeyMRTRHRNGRSZLRB-VIFPVBQESA-N
XLogP1.50
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.20
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-(5-fluoro-6-methyl-3-pyridinyl)-1,2-oxazolidine?
The IUPAC name of (3S)-3-(5-fluoro-6-methyl-3-pyridinyl)-1,2-oxazolidine (CID 129188710) is (3S)-3-(5-fluoro-6-methyl-3-pyridinyl)-1,2-oxazolidine.
What is the SMILES notation for (3S)-3-(5-fluoro-6-methyl-3-pyridinyl)-1,2-oxazolidine?
The canonical SMILES for (3S)-3-(5-fluoro-6-methyl-3-pyridinyl)-1,2-oxazolidine is Cc1ncc([C@@H]2CCON2)cc1F.
What is the InChIKey of (3S)-3-(5-fluoro-6-methyl-3-pyridinyl)-1,2-oxazolidine?
The InChIKey is MRTRHRNGRSZLRB-VIFPVBQESA-N. The full InChI is InChI=1S/C9H11FN2O/c1-6-8(10)4-7(5-11-6)9-2-3-13-12-9/h4-5,9,12H,2-3H2,1H3/t9-/m0/s1.
What are the key properties of (3S)-3-(5-fluoro-6-methyl-3-pyridinyl)-1,2-oxazolidine?
(3S)-3-(5-fluoro-6-methyl-3-pyridinyl)-1,2-oxazolidine has a molecular weight of 182.20 g/mol, XLogP of 1.50, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(5-fluoro-6-methyl-3-pyridinyl)-1,2-oxazolidine is sourced from PubChem (CID 129188710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).