3-[[(2-fluoro-4-pyridinyl)amino]methyl]-2-methyloxolan-3-ol

C11H15FN2O2 — CID 106102759

IUPAC3-[[(2-fluoro-4-pyridinyl)amino]methyl]-2-methyloxolan-3-ol
SMILESCC1OCCC1(O)CNc1ccnc(F)c1
InChIInChI=1S/C11H15FN2O2/c1-8-11(15,3-5-16-8)7-14-9-2-4-13-10(12)6-9/h2,4,6,8,15H,3,5,7H2,1H3,(H,13,14)
InChIKeyDTNNIGOCLUIGEN-UHFFFAOYSA-N
MW226.25 g/mol
LogP1.17
Rot. Bonds3

About 3-[[(2-fluoro-4-pyridinyl)amino]methyl]-2-methyloxolan-3-ol

3-[[(2-fluoro-4-pyridinyl)amino]methyl]-2-methyloxolan-3-ol (PubChem CID 106102759) has the molecular formula C11H15FN2O2 and a molecular weight of 226.25 g/mol. Its IUPAC name is 3-[[(2-fluoro-4-pyridinyl)amino]methyl]-2-methyloxolan-3-ol.

Molecular Properties

Compound Name3-[[(2-fluoro-4-pyridinyl)amino]methyl]-2-methyloxolan-3-ol
PubChem CID106102759
Molecular FormulaC11H15FN2O2
Molecular Weight226.25 g/mol
Exact Mass226.11
IUPAC Name3-[[(2-fluoro-4-pyridinyl)amino]methyl]-2-methyloxolan-3-ol
SMILESCC1OCCC1(O)CNc1ccnc(F)c1
InChIInChI=1S/C11H15FN2O2/c1-8-11(15,3-5-16-8)7-14-9-2-4-13-10(12)6-9/h2,4,6,8,15H,3,5,7H2,1H3,(H,13,14)
InChIKeyDTNNIGOCLUIGEN-UHFFFAOYSA-N
XLogP1.17
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 51.17
H-Bond Donors ≤ 52
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 3-[[(2-fluoro-4-pyridinyl)amino]methyl]-2-methyloxolan-3-ol?
The IUPAC name of 3-[[(2-fluoro-4-pyridinyl)amino]methyl]-2-methyloxolan-3-ol (CID 106102759) is 3-[[(2-fluoro-4-pyridinyl)amino]methyl]-2-methyloxolan-3-ol.
What is the SMILES notation for 3-[[(2-fluoro-4-pyridinyl)amino]methyl]-2-methyloxolan-3-ol?
The canonical SMILES for 3-[[(2-fluoro-4-pyridinyl)amino]methyl]-2-methyloxolan-3-ol is CC1OCCC1(O)CNc1ccnc(F)c1.
What is the InChIKey of 3-[[(2-fluoro-4-pyridinyl)amino]methyl]-2-methyloxolan-3-ol?
The InChIKey is DTNNIGOCLUIGEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O2/c1-8-11(15,3-5-16-8)7-14-9-2-4-13-10(12)6-9/h2,4,6,8,15H,3,5,7H2,1H3,(H,13,14).
What are the key properties of 3-[[(2-fluoro-4-pyridinyl)amino]methyl]-2-methyloxolan-3-ol?
3-[[(2-fluoro-4-pyridinyl)amino]methyl]-2-methyloxolan-3-ol has a molecular weight of 226.25 g/mol, XLogP of 1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2-fluoro-4-pyridinyl)amino]methyl]-2-methyloxolan-3-ol is sourced from PubChem (CID 106102759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).