1-(2-ethoxy-6-fluoro-3-pyridinyl)ethanol

C9H12FNO2 — CID 133054346

IUPAC1-(2-ethoxy-6-fluoro-3-pyridinyl)ethanol
SMILESCCOc1nc(F)ccc1C(C)O
InChIInChI=1S/C9H12FNO2/c1-3-13-9-7(6(2)12)4-5-8(10)11-9/h4-6,12H,3H2,1-2H3
InChIKeyKLNMSYYTYHCBMG-UHFFFAOYSA-N
MW185.20 g/mol
LogP1.67
Rot. Bonds3

About 1-(2-ethoxy-6-fluoro-3-pyridinyl)ethanol

1-(2-ethoxy-6-fluoro-3-pyridinyl)ethanol (PubChem CID 133054346) has the molecular formula C9H12FNO2 and a molecular weight of 185.20 g/mol. Its IUPAC name is 1-(2-ethoxy-6-fluoro-3-pyridinyl)ethanol.

Molecular Properties

Compound Name1-(2-ethoxy-6-fluoro-3-pyridinyl)ethanol
PubChem CID133054346
Molecular FormulaC9H12FNO2
Molecular Weight185.20 g/mol
Exact Mass185.09
IUPAC Name1-(2-ethoxy-6-fluoro-3-pyridinyl)ethanol
SMILESCCOc1nc(F)ccc1C(C)O
InChIInChI=1S/C9H12FNO2/c1-3-13-9-7(6(2)12)4-5-8(10)11-9/h4-6,12H,3H2,1-2H3
InChIKeyKLNMSYYTYHCBMG-UHFFFAOYSA-N
XLogP1.67
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.20
LogP ≤ 51.67
H-Bond Donors ≤ 51
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 1-(2-ethoxy-6-fluoro-3-pyridinyl)ethanol?
The IUPAC name of 1-(2-ethoxy-6-fluoro-3-pyridinyl)ethanol (CID 133054346) is 1-(2-ethoxy-6-fluoro-3-pyridinyl)ethanol.
What is the SMILES notation for 1-(2-ethoxy-6-fluoro-3-pyridinyl)ethanol?
The canonical SMILES for 1-(2-ethoxy-6-fluoro-3-pyridinyl)ethanol is CCOc1nc(F)ccc1C(C)O.
What is the InChIKey of 1-(2-ethoxy-6-fluoro-3-pyridinyl)ethanol?
The InChIKey is KLNMSYYTYHCBMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNO2/c1-3-13-9-7(6(2)12)4-5-8(10)11-9/h4-6,12H,3H2,1-2H3.
What are the key properties of 1-(2-ethoxy-6-fluoro-3-pyridinyl)ethanol?
1-(2-ethoxy-6-fluoro-3-pyridinyl)ethanol has a molecular weight of 185.20 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxy-6-fluoro-3-pyridinyl)ethanol is sourced from PubChem (CID 133054346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).