1-(2-ethoxy-3-fluoro-4-pyridinyl)hexan-1-ol

C13H20FNO2 — CID 114270275

IUPAC1-(2-ethoxy-3-fluoro-4-pyridinyl)hexan-1-ol
SMILESCCCCCC(O)c1ccnc(OCC)c1F
InChIInChI=1S/C13H20FNO2/c1-3-5-6-7-11(16)10-8-9-15-13(12(10)14)17-4-2/h8-9,11,16H,3-7H2,1-2H3
InChIKeyMMHZPDLUPNCFIQ-UHFFFAOYSA-N
MW241.31 g/mol
LogP3.23
Rot. Bonds7

About 1-(2-ethoxy-3-fluoro-4-pyridinyl)hexan-1-ol

1-(2-ethoxy-3-fluoro-4-pyridinyl)hexan-1-ol (PubChem CID 114270275) has the molecular formula C13H20FNO2 and a molecular weight of 241.31 g/mol. Its IUPAC name is 1-(2-ethoxy-3-fluoro-4-pyridinyl)hexan-1-ol.

Molecular Properties

Compound Name1-(2-ethoxy-3-fluoro-4-pyridinyl)hexan-1-ol
PubChem CID114270275
Molecular FormulaC13H20FNO2
Molecular Weight241.31 g/mol
Exact Mass241.15
IUPAC Name1-(2-ethoxy-3-fluoro-4-pyridinyl)hexan-1-ol
SMILESCCCCCC(O)c1ccnc(OCC)c1F
InChIInChI=1S/C13H20FNO2/c1-3-5-6-7-11(16)10-8-9-15-13(12(10)14)17-4-2/h8-9,11,16H,3-7H2,1-2H3
InChIKeyMMHZPDLUPNCFIQ-UHFFFAOYSA-N
XLogP3.23
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 53.23
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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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxy-3-fluoro-4-pyridinyl)hexan-1-ol?
The IUPAC name of 1-(2-ethoxy-3-fluoro-4-pyridinyl)hexan-1-ol (CID 114270275) is 1-(2-ethoxy-3-fluoro-4-pyridinyl)hexan-1-ol.
What is the SMILES notation for 1-(2-ethoxy-3-fluoro-4-pyridinyl)hexan-1-ol?
The canonical SMILES for 1-(2-ethoxy-3-fluoro-4-pyridinyl)hexan-1-ol is CCCCCC(O)c1ccnc(OCC)c1F.
What is the InChIKey of 1-(2-ethoxy-3-fluoro-4-pyridinyl)hexan-1-ol?
The InChIKey is MMHZPDLUPNCFIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO2/c1-3-5-6-7-11(16)10-8-9-15-13(12(10)14)17-4-2/h8-9,11,16H,3-7H2,1-2H3.
What are the key properties of 1-(2-ethoxy-3-fluoro-4-pyridinyl)hexan-1-ol?
1-(2-ethoxy-3-fluoro-4-pyridinyl)hexan-1-ol has a molecular weight of 241.31 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxy-3-fluoro-4-pyridinyl)hexan-1-ol is sourced from PubChem (CID 114270275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).