[3-(2,6-dimethylmorpholin-4-yl)-5-fluoro-2-pyridinyl]methanol

C12H17FN2O2 — CID 77265802

IUPAC[3-(2,6-dimethylmorpholin-4-yl)-5-fluoro-2-pyridinyl]methanol
SMILESCC1CN(c2cc(F)cnc2CO)CC(C)O1
InChIInChI=1S/C12H17FN2O2/c1-8-5-15(6-9(2)17-8)12-3-10(13)4-14-11(12)7-16/h3-4,8-9,16H,5-7H2,1-2H3
InChIKeyKJZTVOSGLMLMEE-UHFFFAOYSA-N
MW240.28 g/mol
LogP1.33
Rot. Bonds2

About [3-(2,6-dimethylmorpholin-4-yl)-5-fluoro-2-pyridinyl]methanol

[3-(2,6-dimethylmorpholin-4-yl)-5-fluoro-2-pyridinyl]methanol (PubChem CID 77265802) has the molecular formula C12H17FN2O2 and a molecular weight of 240.28 g/mol. Its IUPAC name is [3-(2,6-dimethylmorpholin-4-yl)-5-fluoro-2-pyridinyl]methanol.

Molecular Properties

Compound Name[3-(2,6-dimethylmorpholin-4-yl)-5-fluoro-2-pyridinyl]methanol
PubChem CID77265802
Molecular FormulaC12H17FN2O2
Molecular Weight240.28 g/mol
Exact Mass240.13
IUPAC Name[3-(2,6-dimethylmorpholin-4-yl)-5-fluoro-2-pyridinyl]methanol
SMILESCC1CN(c2cc(F)cnc2CO)CC(C)O1
InChIInChI=1S/C12H17FN2O2/c1-8-5-15(6-9(2)17-8)12-3-10(13)4-14-11(12)7-16/h3-4,8-9,16H,5-7H2,1-2H3
InChIKeyKJZTVOSGLMLMEE-UHFFFAOYSA-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

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Frequently Asked Questions

What is the IUPAC name of [3-(2,6-dimethylmorpholin-4-yl)-5-fluoro-2-pyridinyl]methanol?
The IUPAC name of [3-(2,6-dimethylmorpholin-4-yl)-5-fluoro-2-pyridinyl]methanol (CID 77265802) is [3-(2,6-dimethylmorpholin-4-yl)-5-fluoro-2-pyridinyl]methanol.
What is the SMILES notation for [3-(2,6-dimethylmorpholin-4-yl)-5-fluoro-2-pyridinyl]methanol?
The canonical SMILES for [3-(2,6-dimethylmorpholin-4-yl)-5-fluoro-2-pyridinyl]methanol is CC1CN(c2cc(F)cnc2CO)CC(C)O1.
What is the InChIKey of [3-(2,6-dimethylmorpholin-4-yl)-5-fluoro-2-pyridinyl]methanol?
The InChIKey is KJZTVOSGLMLMEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O2/c1-8-5-15(6-9(2)17-8)12-3-10(13)4-14-11(12)7-16/h3-4,8-9,16H,5-7H2,1-2H3.
What are the key properties of [3-(2,6-dimethylmorpholin-4-yl)-5-fluoro-2-pyridinyl]methanol?
[3-(2,6-dimethylmorpholin-4-yl)-5-fluoro-2-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 [3-(2,6-dimethylmorpholin-4-yl)-5-fluoro-2-pyridinyl]methanol is sourced from PubChem (CID 77265802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).