(2S,3S,5S,6R)-2-(3-amino-4-pyridinyl)-3-fluoro-5,6-dimethyloxan-4-one

C12H15FN2O2 — CID 67208164

IUPAC(2S,3S,5S,6R)-2-(3-amino-4-pyridinyl)-3-fluoro-5,6-dimethyloxan-4-one
SMILESC[C@@H]1C(=O)[C@@H](F)[C@H](c2ccncc2N)O[C@@H]1C
InChIInChI=1S/C12H15FN2O2/c1-6-7(2)17-12(10(13)11(6)16)8-3-4-15-5-9(8)14/h3-7,10,12H,14H2,1-2H3/t6-,7+,10+,12-/m0/s1
InChIKeyIVJIDISBHLWOOA-MYVOQBSASA-N
MW238.26 g/mol
LogP1.67
Rot. Bonds1

About (2S,3S,5S,6R)-2-(3-amino-4-pyridinyl)-3-fluoro-5,6-dimethyloxan-4-one

(2S,3S,5S,6R)-2-(3-amino-4-pyridinyl)-3-fluoro-5,6-dimethyloxan-4-one (PubChem CID 67208164) has the molecular formula C12H15FN2O2 and a molecular weight of 238.26 g/mol. Its IUPAC name is (2S,3S,5S,6R)-2-(3-amino-4-pyridinyl)-3-fluoro-5,6-dimethyloxan-4-one.

Molecular Properties

Compound Name(2S,3S,5S,6R)-2-(3-amino-4-pyridinyl)-3-fluoro-5,6-dimethyloxan-4-one
PubChem CID67208164
Molecular FormulaC12H15FN2O2
Molecular Weight238.26 g/mol
Exact Mass238.11
IUPAC Name(2S,3S,5S,6R)-2-(3-amino-4-pyridinyl)-3-fluoro-5,6-dimethyloxan-4-one
SMILESC[C@@H]1C(=O)[C@@H](F)[C@H](c2ccncc2N)O[C@@H]1C
InChIInChI=1S/C12H15FN2O2/c1-6-7(2)17-12(10(13)11(6)16)8-3-4-15-5-9(8)14/h3-7,10,12H,14H2,1-2H3/t6-,7+,10+,12-/m0/s1
InChIKeyIVJIDISBHLWOOA-MYVOQBSASA-N
XLogP1.67
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S,3S,5S,6R)-2-(3-amino-4-pyridinyl)-3-fluoro-5,6-dimethyloxan-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S,3S,5S,6R)-2-(3-amino-4-pyridinyl)-3-fluoro-5,6-dimethyloxan-4-one?
The IUPAC name of (2S,3S,5S,6R)-2-(3-amino-4-pyridinyl)-3-fluoro-5,6-dimethyloxan-4-one (CID 67208164) is (2S,3S,5S,6R)-2-(3-amino-4-pyridinyl)-3-fluoro-5,6-dimethyloxan-4-one.
What is the SMILES notation for (2S,3S,5S,6R)-2-(3-amino-4-pyridinyl)-3-fluoro-5,6-dimethyloxan-4-one?
The canonical SMILES for (2S,3S,5S,6R)-2-(3-amino-4-pyridinyl)-3-fluoro-5,6-dimethyloxan-4-one is C[C@@H]1C(=O)[C@@H](F)[C@H](c2ccncc2N)O[C@@H]1C.
What is the InChIKey of (2S,3S,5S,6R)-2-(3-amino-4-pyridinyl)-3-fluoro-5,6-dimethyloxan-4-one?
The InChIKey is IVJIDISBHLWOOA-MYVOQBSASA-N. The full InChI is InChI=1S/C12H15FN2O2/c1-6-7(2)17-12(10(13)11(6)16)8-3-4-15-5-9(8)14/h3-7,10,12H,14H2,1-2H3/t6-,7+,10+,12-/m0/s1.
What are the key properties of (2S,3S,5S,6R)-2-(3-amino-4-pyridinyl)-3-fluoro-5,6-dimethyloxan-4-one?
(2S,3S,5S,6R)-2-(3-amino-4-pyridinyl)-3-fluoro-5,6-dimethyloxan-4-one has a molecular weight of 238.26 g/mol, XLogP of 1.67, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,5S,6R)-2-(3-amino-4-pyridinyl)-3-fluoro-5,6-dimethyloxan-4-one is sourced from PubChem (CID 67208164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).