[(3R,6R)-6-[2-[3-fluoro-5-(methylamino)-4-pyridinyl]ethyl]morpholin-3-yl]methanol

C13H20FN3O2 — CID 144589140

IUPAC[(3R,6R)-6-[2-[3-fluoro-5-(methylamino)-4-pyridinyl]ethyl]morpholin-3-yl]methanol
SMILESCNc1cncc(F)c1CC[C@@H]1CN[C@H](CO)CO1
InChIInChI=1S/C13H20FN3O2/c1-15-13-6-16-5-12(14)11(13)3-2-10-4-17-9(7-18)8-19-10/h5-6,9-10,15,17-18H,2-4,7-8H2,1H3/t9-,10-/m1/s1
InChIKeyXKYMAEKCLIEKQC-NXEZZACHSA-N
MW269.32 g/mol
LogP0.54
Rot. Bonds5

About [(3R,6R)-6-[2-[3-fluoro-5-(methylamino)-4-pyridinyl]ethyl]morpholin-3-yl]methanol

[(3R,6R)-6-[2-[3-fluoro-5-(methylamino)-4-pyridinyl]ethyl]morpholin-3-yl]methanol (PubChem CID 144589140) has the molecular formula C13H20FN3O2 and a molecular weight of 269.32 g/mol. Its IUPAC name is [(3R,6R)-6-[2-[3-fluoro-5-(methylamino)-4-pyridinyl]ethyl]morpholin-3-yl]methanol.

Molecular Properties

Compound Name[(3R,6R)-6-[2-[3-fluoro-5-(methylamino)-4-pyridinyl]ethyl]morpholin-3-yl]methanol
PubChem CID144589140
Molecular FormulaC13H20FN3O2
Molecular Weight269.32 g/mol
Exact Mass269.15
IUPAC Name[(3R,6R)-6-[2-[3-fluoro-5-(methylamino)-4-pyridinyl]ethyl]morpholin-3-yl]methanol
SMILESCNc1cncc(F)c1CC[C@@H]1CN[C@H](CO)CO1
InChIInChI=1S/C13H20FN3O2/c1-15-13-6-16-5-12(14)11(13)3-2-10-4-17-9(7-18)8-19-10/h5-6,9-10,15,17-18H,2-4,7-8H2,1H3/t9-,10-/m1/s1
InChIKeyXKYMAEKCLIEKQC-NXEZZACHSA-N
XLogP0.54
TPSA66.41 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze [(3R,6R)-6-[2-[3-fluoro-5-(methylamino)-4-pyridinyl]ethyl]morpholin-3-yl]methanol 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 [(3R,6R)-6-[2-[3-fluoro-5-(methylamino)-4-pyridinyl]ethyl]morpholin-3-yl]methanol?
The IUPAC name of [(3R,6R)-6-[2-[3-fluoro-5-(methylamino)-4-pyridinyl]ethyl]morpholin-3-yl]methanol (CID 144589140) is [(3R,6R)-6-[2-[3-fluoro-5-(methylamino)-4-pyridinyl]ethyl]morpholin-3-yl]methanol.
What is the SMILES notation for [(3R,6R)-6-[2-[3-fluoro-5-(methylamino)-4-pyridinyl]ethyl]morpholin-3-yl]methanol?
The canonical SMILES for [(3R,6R)-6-[2-[3-fluoro-5-(methylamino)-4-pyridinyl]ethyl]morpholin-3-yl]methanol is CNc1cncc(F)c1CC[C@@H]1CN[C@H](CO)CO1.
What is the InChIKey of [(3R,6R)-6-[2-[3-fluoro-5-(methylamino)-4-pyridinyl]ethyl]morpholin-3-yl]methanol?
The InChIKey is XKYMAEKCLIEKQC-NXEZZACHSA-N. The full InChI is InChI=1S/C13H20FN3O2/c1-15-13-6-16-5-12(14)11(13)3-2-10-4-17-9(7-18)8-19-10/h5-6,9-10,15,17-18H,2-4,7-8H2,1H3/t9-,10-/m1/s1.
What are the key properties of [(3R,6R)-6-[2-[3-fluoro-5-(methylamino)-4-pyridinyl]ethyl]morpholin-3-yl]methanol?
[(3R,6R)-6-[2-[3-fluoro-5-(methylamino)-4-pyridinyl]ethyl]morpholin-3-yl]methanol has a molecular weight of 269.32 g/mol, XLogP of 0.54, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,6R)-6-[2-[3-fluoro-5-(methylamino)-4-pyridinyl]ethyl]morpholin-3-yl]methanol is sourced from PubChem (CID 144589140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).