3-(5-fluoro-2-pyridinyl)-6-methoxyhexan-3-ol

C12H18FNO2 — CID 114852677

IUPAC3-(5-fluoro-2-pyridinyl)-6-methoxyhexan-3-ol
SMILESCCC(O)(CCCOC)c1ccc(F)cn1
InChIInChI=1S/C12H18FNO2/c1-3-12(15,7-4-8-16-2)11-6-5-10(13)9-14-11/h5-6,9,15H,3-4,7-8H2,1-2H3
InChIKeyXNSAGCZUDLNPCJ-UHFFFAOYSA-N
MW227.28 g/mol
LogP2.24
Rot. Bonds6

About 3-(5-fluoro-2-pyridinyl)-6-methoxyhexan-3-ol

3-(5-fluoro-2-pyridinyl)-6-methoxyhexan-3-ol (PubChem CID 114852677) has the molecular formula C12H18FNO2 and a molecular weight of 227.28 g/mol. Its IUPAC name is 3-(5-fluoro-2-pyridinyl)-6-methoxyhexan-3-ol.

Molecular Properties

Compound Name3-(5-fluoro-2-pyridinyl)-6-methoxyhexan-3-ol
PubChem CID114852677
Molecular FormulaC12H18FNO2
Molecular Weight227.28 g/mol
Exact Mass227.13
IUPAC Name3-(5-fluoro-2-pyridinyl)-6-methoxyhexan-3-ol
SMILESCCC(O)(CCCOC)c1ccc(F)cn1
InChIInChI=1S/C12H18FNO2/c1-3-12(15,7-4-8-16-2)11-6-5-10(13)9-14-11/h5-6,9,15H,3-4,7-8H2,1-2H3
InChIKeyXNSAGCZUDLNPCJ-UHFFFAOYSA-N
XLogP2.24
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-ethylsulfonyl-3-(5-fluoro-2-pyridinyl)hexan-3-ol
CID 112585907
2-(5-fluoro-2-pyridinyl)-1-(methylamino)butan-2-ol
CID 112586602
3-(5-fluoro-2-pyridinyl)hex-5-en-3-ol
CID 112585804
2-(5-fluoro-2-pyridinyl)butan-2-ol
CID 83124844
1-(4-fluoro-2-methylphenyl)-2-(5-fluoro-2-pyridinyl)butan-2-ol
CID 114347015
2-(5-fluoro-2-pyridinyl)-1-thiophen-3-ylbutan-2-ol
CID 112585843
1,1-difluoro-2-(5-fluoro-2-pyridinyl)butan-2-ol
CID 112585936
1-(3-bromo-5-fluorophenyl)-2-(5-fluoro-2-pyridinyl)butan-2-ol
CID 115940685
2-(5-fluoro-2-pyridinyl)-1-(oxan-4-yl)butan-2-ol
CID 112585844
1-(3-chlorophenyl)-2-(5-fluoro-2-pyridinyl)butan-2-ol
CID 112585919
1-(3,5-dimethylphenyl)-1-(5-fluoro-2-pyridinyl)propan-1-ol
CID 112585875
1-(5-fluoro-2-pyridinyl)-1-(4-methoxy-2-methylphenyl)propan-1-ol
CID 115940675

Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-2-pyridinyl)-6-methoxyhexan-3-ol?
The IUPAC name of 3-(5-fluoro-2-pyridinyl)-6-methoxyhexan-3-ol (CID 114852677) is 3-(5-fluoro-2-pyridinyl)-6-methoxyhexan-3-ol.
What is the SMILES notation for 3-(5-fluoro-2-pyridinyl)-6-methoxyhexan-3-ol?
The canonical SMILES for 3-(5-fluoro-2-pyridinyl)-6-methoxyhexan-3-ol is CCC(O)(CCCOC)c1ccc(F)cn1.
What is the InChIKey of 3-(5-fluoro-2-pyridinyl)-6-methoxyhexan-3-ol?
The InChIKey is XNSAGCZUDLNPCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO2/c1-3-12(15,7-4-8-16-2)11-6-5-10(13)9-14-11/h5-6,9,15H,3-4,7-8H2,1-2H3.
What are the key properties of 3-(5-fluoro-2-pyridinyl)-6-methoxyhexan-3-ol?
3-(5-fluoro-2-pyridinyl)-6-methoxyhexan-3-ol has a molecular weight of 227.28 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-2-pyridinyl)-6-methoxyhexan-3-ol is sourced from PubChem (CID 114852677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).