(3S)-3-(3,6-difluoro-2-pyridinyl)morpholine

C9H10F2N2O — CID 130648555

IUPAC(3S)-3-(3,6-difluoro-2-pyridinyl)morpholine
SMILESFc1ccc(F)c([C@H]2COCCN2)n1
InChIInChI=1S/C9H10F2N2O/c10-6-1-2-8(11)13-9(6)7-5-14-4-3-12-7/h1-2,7,12H,3-5H2/t7-/m1/s1
InChIKeyBOESHWSCSFXHIM-SSDOTTSWSA-N
MW200.19 g/mol
LogP1.02
Rot. Bonds1

About (3S)-3-(3,6-difluoro-2-pyridinyl)morpholine

(3S)-3-(3,6-difluoro-2-pyridinyl)morpholine (PubChem CID 130648555) has the molecular formula C9H10F2N2O and a molecular weight of 200.19 g/mol. Its IUPAC name is (3S)-3-(3,6-difluoro-2-pyridinyl)morpholine.

Molecular Properties

Compound Name(3S)-3-(3,6-difluoro-2-pyridinyl)morpholine
PubChem CID130648555
Molecular FormulaC9H10F2N2O
Molecular Weight200.19 g/mol
Exact Mass200.08
IUPAC Name(3S)-3-(3,6-difluoro-2-pyridinyl)morpholine
SMILESFc1ccc(F)c([C@H]2COCCN2)n1
InChIInChI=1S/C9H10F2N2O/c10-6-1-2-8(11)13-9(6)7-5-14-4-3-12-7/h1-2,7,12H,3-5H2/t7-/m1/s1
InChIKeyBOESHWSCSFXHIM-SSDOTTSWSA-N
XLogP1.02
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.19
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3S)-3-(3,6-difluoro-2-pyridinyl)morpholine 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 (3S)-3-(3,6-difluoro-2-pyridinyl)morpholine?
The IUPAC name of (3S)-3-(3,6-difluoro-2-pyridinyl)morpholine (CID 130648555) is (3S)-3-(3,6-difluoro-2-pyridinyl)morpholine.
What is the SMILES notation for (3S)-3-(3,6-difluoro-2-pyridinyl)morpholine?
The canonical SMILES for (3S)-3-(3,6-difluoro-2-pyridinyl)morpholine is Fc1ccc(F)c([C@H]2COCCN2)n1.
What is the InChIKey of (3S)-3-(3,6-difluoro-2-pyridinyl)morpholine?
The InChIKey is BOESHWSCSFXHIM-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H10F2N2O/c10-6-1-2-8(11)13-9(6)7-5-14-4-3-12-7/h1-2,7,12H,3-5H2/t7-/m1/s1.
What are the key properties of (3S)-3-(3,6-difluoro-2-pyridinyl)morpholine?
(3S)-3-(3,6-difluoro-2-pyridinyl)morpholine has a molecular weight of 200.19 g/mol, XLogP of 1.02, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(3,6-difluoro-2-pyridinyl)morpholine is sourced from PubChem (CID 130648555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).