1-(3-fluoro-4-pyridinyl)pyrrolidin-3-ol

C9H11FN2O — CID 18357081

IUPAC1-(3-fluoro-4-pyridinyl)pyrrolidin-3-ol
SMILESOC1CCN(c2ccncc2F)C1
InChIInChI=1S/C9H11FN2O/c10-8-5-11-3-1-9(8)12-4-2-7(13)6-12/h1,3,5,7,13H,2,4,6H2
InChIKeyCJHUIDMAMWPEQY-UHFFFAOYSA-N
MW182.20 g/mol
LogP0.79
Rot. Bonds1

About 1-(3-fluoro-4-pyridinyl)pyrrolidin-3-ol

1-(3-fluoro-4-pyridinyl)pyrrolidin-3-ol (PubChem CID 18357081) has the molecular formula C9H11FN2O and a molecular weight of 182.20 g/mol. Its IUPAC name is 1-(3-fluoro-4-pyridinyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-(3-fluoro-4-pyridinyl)pyrrolidin-3-ol
PubChem CID18357081
Molecular FormulaC9H11FN2O
Molecular Weight182.20 g/mol
Exact Mass182.09
IUPAC Name1-(3-fluoro-4-pyridinyl)pyrrolidin-3-ol
SMILESOC1CCN(c2ccncc2F)C1
InChIInChI=1S/C9H11FN2O/c10-8-5-11-3-1-9(8)12-4-2-7(13)6-12/h1,3,5,7,13H,2,4,6H2
InChIKeyCJHUIDMAMWPEQY-UHFFFAOYSA-N
XLogP0.79
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.20
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(3-fluoro-4-pyridinyl)pyrrolidin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-pyridinyl)pyrrolidin-3-ol?
The IUPAC name of 1-(3-fluoro-4-pyridinyl)pyrrolidin-3-ol (CID 18357081) is 1-(3-fluoro-4-pyridinyl)pyrrolidin-3-ol.
What is the SMILES notation for 1-(3-fluoro-4-pyridinyl)pyrrolidin-3-ol?
The canonical SMILES for 1-(3-fluoro-4-pyridinyl)pyrrolidin-3-ol is OC1CCN(c2ccncc2F)C1.
What is the InChIKey of 1-(3-fluoro-4-pyridinyl)pyrrolidin-3-ol?
The InChIKey is CJHUIDMAMWPEQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2O/c10-8-5-11-3-1-9(8)12-4-2-7(13)6-12/h1,3,5,7,13H,2,4,6H2.
What are the key properties of 1-(3-fluoro-4-pyridinyl)pyrrolidin-3-ol?
1-(3-fluoro-4-pyridinyl)pyrrolidin-3-ol has a molecular weight of 182.20 g/mol, XLogP of 0.79, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-pyridinyl)pyrrolidin-3-ol is sourced from PubChem (CID 18357081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).