3-[(6-fluoro-2-pyridinyl)sulfanyl]propane-1,2-diol

C8H10FNO2S — CID 79683055

IUPAC3-[(6-fluoro-2-pyridinyl)sulfanyl]propane-1,2-diol
SMILESOCC(O)CSc1cccc(F)n1
InChIInChI=1S/C8H10FNO2S/c9-7-2-1-3-8(10-7)13-5-6(12)4-11/h1-3,6,11-12H,4-5H2
InChIKeySSRVQVPHKGDXGC-UHFFFAOYSA-N
MW203.24 g/mol
LogP0.67
Rot. Bonds4

About 3-[(6-fluoro-2-pyridinyl)sulfanyl]propane-1,2-diol

3-[(6-fluoro-2-pyridinyl)sulfanyl]propane-1,2-diol (PubChem CID 79683055) has the molecular formula C8H10FNO2S and a molecular weight of 203.24 g/mol. Its IUPAC name is 3-[(6-fluoro-2-pyridinyl)sulfanyl]propane-1,2-diol.

Molecular Properties

Compound Name3-[(6-fluoro-2-pyridinyl)sulfanyl]propane-1,2-diol
PubChem CID79683055
Molecular FormulaC8H10FNO2S
Molecular Weight203.24 g/mol
Exact Mass203.04
IUPAC Name3-[(6-fluoro-2-pyridinyl)sulfanyl]propane-1,2-diol
SMILESOCC(O)CSc1cccc(F)n1
InChIInChI=1S/C8H10FNO2S/c9-7-2-1-3-8(10-7)13-5-6(12)4-11/h1-3,6,11-12H,4-5H2
InChIKeySSRVQVPHKGDXGC-UHFFFAOYSA-N
XLogP0.67
TPSA53.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 50.67
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-[(6-fluoro-2-pyridinyl)sulfanyl]propane-1,2-diol?
The IUPAC name of 3-[(6-fluoro-2-pyridinyl)sulfanyl]propane-1,2-diol (CID 79683055) is 3-[(6-fluoro-2-pyridinyl)sulfanyl]propane-1,2-diol.
What is the SMILES notation for 3-[(6-fluoro-2-pyridinyl)sulfanyl]propane-1,2-diol?
The canonical SMILES for 3-[(6-fluoro-2-pyridinyl)sulfanyl]propane-1,2-diol is OCC(O)CSc1cccc(F)n1.
What is the InChIKey of 3-[(6-fluoro-2-pyridinyl)sulfanyl]propane-1,2-diol?
The InChIKey is SSRVQVPHKGDXGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FNO2S/c9-7-2-1-3-8(10-7)13-5-6(12)4-11/h1-3,6,11-12H,4-5H2.
What are the key properties of 3-[(6-fluoro-2-pyridinyl)sulfanyl]propane-1,2-diol?
3-[(6-fluoro-2-pyridinyl)sulfanyl]propane-1,2-diol has a molecular weight of 203.24 g/mol, XLogP of 0.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-fluoro-2-pyridinyl)sulfanyl]propane-1,2-diol is sourced from PubChem (CID 79683055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).