2-(5-fluoro-3-pyridinyl)-1-(oxan-4-yl)propan-2-ol

C13H18FNO2 — CID 114080683

IUPAC2-(5-fluoro-3-pyridinyl)-1-(oxan-4-yl)propan-2-ol
SMILESCC(O)(CC1CCOCC1)c1cncc(F)c1
InChIInChI=1S/C13H18FNO2/c1-13(16,7-10-2-4-17-5-3-10)11-6-12(14)9-15-8-11/h6,8-10,16H,2-5,7H2,1H3
InChIKeyJQVZDOQPWIGNFR-UHFFFAOYSA-N
MW239.29 g/mol
LogP2.24
Rot. Bonds3

About 2-(5-fluoro-3-pyridinyl)-1-(oxan-4-yl)propan-2-ol

2-(5-fluoro-3-pyridinyl)-1-(oxan-4-yl)propan-2-ol (PubChem CID 114080683) has the molecular formula C13H18FNO2 and a molecular weight of 239.29 g/mol. Its IUPAC name is 2-(5-fluoro-3-pyridinyl)-1-(oxan-4-yl)propan-2-ol.

Molecular Properties

Compound Name2-(5-fluoro-3-pyridinyl)-1-(oxan-4-yl)propan-2-ol
PubChem CID114080683
Molecular FormulaC13H18FNO2
Molecular Weight239.29 g/mol
Exact Mass239.13
IUPAC Name2-(5-fluoro-3-pyridinyl)-1-(oxan-4-yl)propan-2-ol
SMILESCC(O)(CC1CCOCC1)c1cncc(F)c1
InChIInChI=1S/C13H18FNO2/c1-13(16,7-10-2-4-17-5-3-10)11-6-12(14)9-15-8-11/h6,8-10,16H,2-5,7H2,1H3
InChIKeyJQVZDOQPWIGNFR-UHFFFAOYSA-N
XLogP2.24
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-3-pyridinyl)-1-(oxan-4-yl)propan-2-ol?
The IUPAC name of 2-(5-fluoro-3-pyridinyl)-1-(oxan-4-yl)propan-2-ol (CID 114080683) is 2-(5-fluoro-3-pyridinyl)-1-(oxan-4-yl)propan-2-ol.
What is the SMILES notation for 2-(5-fluoro-3-pyridinyl)-1-(oxan-4-yl)propan-2-ol?
The canonical SMILES for 2-(5-fluoro-3-pyridinyl)-1-(oxan-4-yl)propan-2-ol is CC(O)(CC1CCOCC1)c1cncc(F)c1.
What is the InChIKey of 2-(5-fluoro-3-pyridinyl)-1-(oxan-4-yl)propan-2-ol?
The InChIKey is JQVZDOQPWIGNFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO2/c1-13(16,7-10-2-4-17-5-3-10)11-6-12(14)9-15-8-11/h6,8-10,16H,2-5,7H2,1H3.
What are the key properties of 2-(5-fluoro-3-pyridinyl)-1-(oxan-4-yl)propan-2-ol?
2-(5-fluoro-3-pyridinyl)-1-(oxan-4-yl)propan-2-ol has a molecular weight of 239.29 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-3-pyridinyl)-1-(oxan-4-yl)propan-2-ol is sourced from PubChem (CID 114080683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).