4-(6-fluoro-2-pyridinyl)oxan-4-ol

C10H12FNO2 — CID 154809692

IUPAC4-(6-fluoro-2-pyridinyl)oxan-4-ol
SMILESOC1(c2cccc(F)n2)CCOCC1
InChIInChI=1S/C10H12FNO2/c11-9-3-1-2-8(12-9)10(13)4-6-14-7-5-10/h1-3,13H,4-7H2
InChIKeyVIZFZCAWISQYJB-UHFFFAOYSA-N
MW197.21 g/mol
LogP1.22
Rot. Bonds1

About 4-(6-fluoro-2-pyridinyl)oxan-4-ol

4-(6-fluoro-2-pyridinyl)oxan-4-ol (PubChem CID 154809692) has the molecular formula C10H12FNO2 and a molecular weight of 197.21 g/mol. Its IUPAC name is 4-(6-fluoro-2-pyridinyl)oxan-4-ol.

Molecular Properties

Compound Name4-(6-fluoro-2-pyridinyl)oxan-4-ol
PubChem CID154809692
Molecular FormulaC10H12FNO2
Molecular Weight197.21 g/mol
Exact Mass197.09
IUPAC Name4-(6-fluoro-2-pyridinyl)oxan-4-ol
SMILESOC1(c2cccc(F)n2)CCOCC1
InChIInChI=1S/C10H12FNO2/c11-9-3-1-2-8(12-9)10(13)4-6-14-7-5-10/h1-3,13H,4-7H2
InChIKeyVIZFZCAWISQYJB-UHFFFAOYSA-N
XLogP1.22
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.21
LogP ≤ 51.22
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 4-(6-fluoro-2-pyridinyl)oxan-4-ol?
The IUPAC name of 4-(6-fluoro-2-pyridinyl)oxan-4-ol (CID 154809692) is 4-(6-fluoro-2-pyridinyl)oxan-4-ol.
What is the SMILES notation for 4-(6-fluoro-2-pyridinyl)oxan-4-ol?
The canonical SMILES for 4-(6-fluoro-2-pyridinyl)oxan-4-ol is OC1(c2cccc(F)n2)CCOCC1.
What is the InChIKey of 4-(6-fluoro-2-pyridinyl)oxan-4-ol?
The InChIKey is VIZFZCAWISQYJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO2/c11-9-3-1-2-8(12-9)10(13)4-6-14-7-5-10/h1-3,13H,4-7H2.
What are the key properties of 4-(6-fluoro-2-pyridinyl)oxan-4-ol?
4-(6-fluoro-2-pyridinyl)oxan-4-ol has a molecular weight of 197.21 g/mol, XLogP of 1.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-fluoro-2-pyridinyl)oxan-4-ol is sourced from PubChem (CID 154809692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).