[4-[(5-fluoro-3-pyridinyl)methyl]-6-methylmorpholin-2-yl]methanol

C12H17FN2O2 — CID 102978619

IUPAC[4-[(5-fluoro-3-pyridinyl)methyl]-6-methylmorpholin-2-yl]methanol
SMILESCC1CN(Cc2cncc(F)c2)CC(CO)O1
InChIInChI=1S/C12H17FN2O2/c1-9-5-15(7-12(8-16)17-9)6-10-2-11(13)4-14-3-10/h2-4,9,12,16H,5-8H2,1H3
InChIKeyOLVMFDBAXBJDAW-UHFFFAOYSA-N
MW240.28 g/mol
LogP0.80
Rot. Bonds3

About [4-[(5-fluoro-3-pyridinyl)methyl]-6-methylmorpholin-2-yl]methanol

[4-[(5-fluoro-3-pyridinyl)methyl]-6-methylmorpholin-2-yl]methanol (PubChem CID 102978619) has the molecular formula C12H17FN2O2 and a molecular weight of 240.28 g/mol. Its IUPAC name is [4-[(5-fluoro-3-pyridinyl)methyl]-6-methylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-[(5-fluoro-3-pyridinyl)methyl]-6-methylmorpholin-2-yl]methanol
PubChem CID102978619
Molecular FormulaC12H17FN2O2
Molecular Weight240.28 g/mol
Exact Mass240.13
IUPAC Name[4-[(5-fluoro-3-pyridinyl)methyl]-6-methylmorpholin-2-yl]methanol
SMILESCC1CN(Cc2cncc(F)c2)CC(CO)O1
InChIInChI=1S/C12H17FN2O2/c1-9-5-15(7-12(8-16)17-9)6-10-2-11(13)4-14-3-10/h2-4,9,12,16H,5-8H2,1H3
InChIKeyOLVMFDBAXBJDAW-UHFFFAOYSA-N
XLogP0.80
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[(5-fluoro-3-pyridinyl)methyl]-6-methylmorpholin-2-yl]methanol?
The IUPAC name of [4-[(5-fluoro-3-pyridinyl)methyl]-6-methylmorpholin-2-yl]methanol (CID 102978619) is [4-[(5-fluoro-3-pyridinyl)methyl]-6-methylmorpholin-2-yl]methanol.
What is the SMILES notation for [4-[(5-fluoro-3-pyridinyl)methyl]-6-methylmorpholin-2-yl]methanol?
The canonical SMILES for [4-[(5-fluoro-3-pyridinyl)methyl]-6-methylmorpholin-2-yl]methanol is CC1CN(Cc2cncc(F)c2)CC(CO)O1.
What is the InChIKey of [4-[(5-fluoro-3-pyridinyl)methyl]-6-methylmorpholin-2-yl]methanol?
The InChIKey is OLVMFDBAXBJDAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O2/c1-9-5-15(7-12(8-16)17-9)6-10-2-11(13)4-14-3-10/h2-4,9,12,16H,5-8H2,1H3.
What are the key properties of [4-[(5-fluoro-3-pyridinyl)methyl]-6-methylmorpholin-2-yl]methanol?
[4-[(5-fluoro-3-pyridinyl)methyl]-6-methylmorpholin-2-yl]methanol has a molecular weight of 240.28 g/mol, XLogP of 0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(5-fluoro-3-pyridinyl)methyl]-6-methylmorpholin-2-yl]methanol is sourced from PubChem (CID 102978619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).