[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-fluoro-3-pyridinyl]methanol

C12H17FN2O2 — CID 67318853

IUPAC[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-fluoro-3-pyridinyl]methanol
SMILESC[C@@H]1CN(c2nc(F)ccc2CO)C[C@H](C)O1
InChIInChI=1S/C12H17FN2O2/c1-8-5-15(6-9(2)17-8)12-10(7-16)3-4-11(13)14-12/h3-4,8-9,16H,5-7H2,1-2H3/t8-,9+
InChIKeyBGAQTCIGFJGCNG-DTORHVGOSA-N
MW240.28 g/mol
LogP1.33
Rot. Bonds2

About [2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-fluoro-3-pyridinyl]methanol

[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-fluoro-3-pyridinyl]methanol (PubChem CID 67318853) has the molecular formula C12H17FN2O2 and a molecular weight of 240.28 g/mol. Its IUPAC name is [2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-fluoro-3-pyridinyl]methanol.

Molecular Properties

Compound Name[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-fluoro-3-pyridinyl]methanol
PubChem CID67318853
Molecular FormulaC12H17FN2O2
Molecular Weight240.28 g/mol
Exact Mass240.13
IUPAC Name[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-fluoro-3-pyridinyl]methanol
SMILESC[C@@H]1CN(c2nc(F)ccc2CO)C[C@H](C)O1
InChIInChI=1S/C12H17FN2O2/c1-8-5-15(6-9(2)17-8)12-10(7-16)3-4-11(13)14-12/h3-4,8-9,16H,5-7H2,1-2H3/t8-,9+
InChIKeyBGAQTCIGFJGCNG-DTORHVGOSA-N
XLogP1.33
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-fluoro-3-pyridinyl]methanol?
The IUPAC name of [2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-fluoro-3-pyridinyl]methanol (CID 67318853) is [2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-fluoro-3-pyridinyl]methanol.
What is the SMILES notation for [2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-fluoro-3-pyridinyl]methanol?
The canonical SMILES for [2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-fluoro-3-pyridinyl]methanol is C[C@@H]1CN(c2nc(F)ccc2CO)C[C@H](C)O1.
What is the InChIKey of [2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-fluoro-3-pyridinyl]methanol?
The InChIKey is BGAQTCIGFJGCNG-DTORHVGOSA-N. The full InChI is InChI=1S/C12H17FN2O2/c1-8-5-15(6-9(2)17-8)12-10(7-16)3-4-11(13)14-12/h3-4,8-9,16H,5-7H2,1-2H3/t8-,9+.
What are the key properties of [2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-fluoro-3-pyridinyl]methanol?
[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-fluoro-3-pyridinyl]methanol has a molecular weight of 240.28 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-6-fluoro-3-pyridinyl]methanol is sourced from PubChem (CID 67318853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).