1-(2-ethyl-4-pyridinyl)-4-fluoropyrrolidin-3-ol

C11H15FN2O — CID 153329783

IUPAC1-(2-ethyl-4-pyridinyl)-4-fluoropyrrolidin-3-ol
SMILESCCc1cc(N2CC(O)C(F)C2)ccn1
InChIInChI=1S/C11H15FN2O/c1-2-8-5-9(3-4-13-8)14-6-10(12)11(15)7-14/h3-5,10-11,15H,2,6-7H2,1H3
InChIKeyWTLSSOZKQXZQDD-UHFFFAOYSA-N
MW210.25 g/mol
LogP1.16
Rot. Bonds2

About 1-(2-ethyl-4-pyridinyl)-4-fluoropyrrolidin-3-ol

1-(2-ethyl-4-pyridinyl)-4-fluoropyrrolidin-3-ol (PubChem CID 153329783) has the molecular formula C11H15FN2O and a molecular weight of 210.25 g/mol. Its IUPAC name is 1-(2-ethyl-4-pyridinyl)-4-fluoropyrrolidin-3-ol.

Molecular Properties

Compound Name1-(2-ethyl-4-pyridinyl)-4-fluoropyrrolidin-3-ol
PubChem CID153329783
Molecular FormulaC11H15FN2O
Molecular Weight210.25 g/mol
Exact Mass210.12
IUPAC Name1-(2-ethyl-4-pyridinyl)-4-fluoropyrrolidin-3-ol
SMILESCCc1cc(N2CC(O)C(F)C2)ccn1
InChIInChI=1S/C11H15FN2O/c1-2-8-5-9(3-4-13-8)14-6-10(12)11(15)7-14/h3-5,10-11,15H,2,6-7H2,1H3
InChIKeyWTLSSOZKQXZQDD-UHFFFAOYSA-N
XLogP1.16
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-4-pyridinyl)-4-fluoropyrrolidin-3-ol?
The IUPAC name of 1-(2-ethyl-4-pyridinyl)-4-fluoropyrrolidin-3-ol (CID 153329783) is 1-(2-ethyl-4-pyridinyl)-4-fluoropyrrolidin-3-ol.
What is the SMILES notation for 1-(2-ethyl-4-pyridinyl)-4-fluoropyrrolidin-3-ol?
The canonical SMILES for 1-(2-ethyl-4-pyridinyl)-4-fluoropyrrolidin-3-ol is CCc1cc(N2CC(O)C(F)C2)ccn1.
What is the InChIKey of 1-(2-ethyl-4-pyridinyl)-4-fluoropyrrolidin-3-ol?
The InChIKey is WTLSSOZKQXZQDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O/c1-2-8-5-9(3-4-13-8)14-6-10(12)11(15)7-14/h3-5,10-11,15H,2,6-7H2,1H3.
What are the key properties of 1-(2-ethyl-4-pyridinyl)-4-fluoropyrrolidin-3-ol?
1-(2-ethyl-4-pyridinyl)-4-fluoropyrrolidin-3-ol has a molecular weight of 210.25 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-4-pyridinyl)-4-fluoropyrrolidin-3-ol is sourced from PubChem (CID 153329783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).