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

C7H8FNO — CID 66600166

IUPAC1-(6-fluoro-3-pyridinyl)ethanol
SMILESCC(O)c1ccc(F)nc1
InChIInChI=1S/C7H8FNO/c1-5(10)6-2-3-7(8)9-4-6/h2-5,10H,1H3
InChIKeyBAXMCVFPJFOSCM-UHFFFAOYSA-N
MW141.14 g/mol
LogP1.27
Rot. Bonds1

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

1-(6-fluoro-3-pyridinyl)ethanol (PubChem CID 66600166) has the molecular formula C7H8FNO and a molecular weight of 141.14 g/mol. Its IUPAC name is 1-(6-fluoro-3-pyridinyl)ethanol.

Molecular Properties

Compound Name1-(6-fluoro-3-pyridinyl)ethanol
PubChem CID66600166
Molecular FormulaC7H8FNO
Molecular Weight141.14 g/mol
Exact Mass141.06
IUPAC Name1-(6-fluoro-3-pyridinyl)ethanol
SMILESCC(O)c1ccc(F)nc1
InChIInChI=1S/C7H8FNO/c1-5(10)6-2-3-7(8)9-4-6/h2-5,10H,1H3
InChIKeyBAXMCVFPJFOSCM-UHFFFAOYSA-N
XLogP1.27
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.14
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(6-fluoro-3-pyridinyl)ethanol?
The IUPAC name of 1-(6-fluoro-3-pyridinyl)ethanol (CID 66600166) is 1-(6-fluoro-3-pyridinyl)ethanol.
What is the SMILES notation for 1-(6-fluoro-3-pyridinyl)ethanol?
The canonical SMILES for 1-(6-fluoro-3-pyridinyl)ethanol is CC(O)c1ccc(F)nc1.
What is the InChIKey of 1-(6-fluoro-3-pyridinyl)ethanol?
The InChIKey is BAXMCVFPJFOSCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FNO/c1-5(10)6-2-3-7(8)9-4-6/h2-5,10H,1H3.
What are the key properties of 1-(6-fluoro-3-pyridinyl)ethanol?
1-(6-fluoro-3-pyridinyl)ethanol has a molecular weight of 141.14 g/mol, XLogP of 1.27, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoro-3-pyridinyl)ethanol is sourced from PubChem (CID 66600166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).