2-(azetidin-1-yl)-1-(5-fluoro-3-pyridinyl)ethanol

C10H13FN2O — CID 130667464

IUPAC2-(azetidin-1-yl)-1-(5-fluoro-3-pyridinyl)ethanol
SMILESOC(CN1CCC1)c1cncc(F)c1
InChIInChI=1S/C10H13FN2O/c11-9-4-8(5-12-6-9)10(14)7-13-2-1-3-13/h4-6,10,14H,1-3,7H2
InChIKeyXKXLVUHSCUPIDD-UHFFFAOYSA-N
MW196.23 g/mol
LogP0.96
Rot. Bonds3

About 2-(azetidin-1-yl)-1-(5-fluoro-3-pyridinyl)ethanol

2-(azetidin-1-yl)-1-(5-fluoro-3-pyridinyl)ethanol (PubChem CID 130667464) has the molecular formula C10H13FN2O and a molecular weight of 196.23 g/mol. Its IUPAC name is 2-(azetidin-1-yl)-1-(5-fluoro-3-pyridinyl)ethanol.

Molecular Properties

Compound Name2-(azetidin-1-yl)-1-(5-fluoro-3-pyridinyl)ethanol
PubChem CID130667464
Molecular FormulaC10H13FN2O
Molecular Weight196.23 g/mol
Exact Mass196.10
IUPAC Name2-(azetidin-1-yl)-1-(5-fluoro-3-pyridinyl)ethanol
SMILESOC(CN1CCC1)c1cncc(F)c1
InChIInChI=1S/C10H13FN2O/c11-9-4-8(5-12-6-9)10(14)7-13-2-1-3-13/h4-6,10,14H,1-3,7H2
InChIKeyXKXLVUHSCUPIDD-UHFFFAOYSA-N
XLogP0.96
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.23
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-1-yl)-1-(5-fluoro-3-pyridinyl)ethanol?
The IUPAC name of 2-(azetidin-1-yl)-1-(5-fluoro-3-pyridinyl)ethanol (CID 130667464) is 2-(azetidin-1-yl)-1-(5-fluoro-3-pyridinyl)ethanol.
What is the SMILES notation for 2-(azetidin-1-yl)-1-(5-fluoro-3-pyridinyl)ethanol?
The canonical SMILES for 2-(azetidin-1-yl)-1-(5-fluoro-3-pyridinyl)ethanol is OC(CN1CCC1)c1cncc(F)c1.
What is the InChIKey of 2-(azetidin-1-yl)-1-(5-fluoro-3-pyridinyl)ethanol?
The InChIKey is XKXLVUHSCUPIDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O/c11-9-4-8(5-12-6-9)10(14)7-13-2-1-3-13/h4-6,10,14H,1-3,7H2.
What are the key properties of 2-(azetidin-1-yl)-1-(5-fluoro-3-pyridinyl)ethanol?
2-(azetidin-1-yl)-1-(5-fluoro-3-pyridinyl)ethanol has a molecular weight of 196.23 g/mol, XLogP of 0.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-1-yl)-1-(5-fluoro-3-pyridinyl)ethanol is sourced from PubChem (CID 130667464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).