4-[(6-fluoro-3-pyridinyl)methyl]thiomorpholine

C10H13FN2S — CID 66599976

IUPAC4-[(6-fluoro-3-pyridinyl)methyl]thiomorpholine
SMILESFc1ccc(CN2CCSCC2)cn1
InChIInChI=1S/C10H13FN2S/c11-10-2-1-9(7-12-10)8-13-3-5-14-6-4-13/h1-2,7H,3-6,8H2
InChIKeyQPFUUKZLCGOWLV-UHFFFAOYSA-N
MW212.29 g/mol
LogP1.77
Rot. Bonds2

About 4-[(6-fluoro-3-pyridinyl)methyl]thiomorpholine

4-[(6-fluoro-3-pyridinyl)methyl]thiomorpholine (PubChem CID 66599976) has the molecular formula C10H13FN2S and a molecular weight of 212.29 g/mol. Its IUPAC name is 4-[(6-fluoro-3-pyridinyl)methyl]thiomorpholine.

Molecular Properties

Compound Name4-[(6-fluoro-3-pyridinyl)methyl]thiomorpholine
PubChem CID66599976
Molecular FormulaC10H13FN2S
Molecular Weight212.29 g/mol
Exact Mass212.08
IUPAC Name4-[(6-fluoro-3-pyridinyl)methyl]thiomorpholine
SMILESFc1ccc(CN2CCSCC2)cn1
InChIInChI=1S/C10H13FN2S/c11-10-2-1-9(7-12-10)8-13-3-5-14-6-4-13/h1-2,7H,3-6,8H2
InChIKeyQPFUUKZLCGOWLV-UHFFFAOYSA-N
XLogP1.77
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 4-[(6-fluoro-3-pyridinyl)methyl]thiomorpholine?
The IUPAC name of 4-[(6-fluoro-3-pyridinyl)methyl]thiomorpholine (CID 66599976) is 4-[(6-fluoro-3-pyridinyl)methyl]thiomorpholine.
What is the SMILES notation for 4-[(6-fluoro-3-pyridinyl)methyl]thiomorpholine?
The canonical SMILES for 4-[(6-fluoro-3-pyridinyl)methyl]thiomorpholine is Fc1ccc(CN2CCSCC2)cn1.
What is the InChIKey of 4-[(6-fluoro-3-pyridinyl)methyl]thiomorpholine?
The InChIKey is QPFUUKZLCGOWLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2S/c11-10-2-1-9(7-12-10)8-13-3-5-14-6-4-13/h1-2,7H,3-6,8H2.
What are the key properties of 4-[(6-fluoro-3-pyridinyl)methyl]thiomorpholine?
4-[(6-fluoro-3-pyridinyl)methyl]thiomorpholine has a molecular weight of 212.29 g/mol, XLogP of 1.77, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-fluoro-3-pyridinyl)methyl]thiomorpholine is sourced from PubChem (CID 66599976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).