[3-fluoro-2-(3-propylpyrrolidin-1-yl)-4-pyridinyl]methanol

C13H19FN2O — CID 105383174

IUPAC[3-fluoro-2-(3-propylpyrrolidin-1-yl)-4-pyridinyl]methanol
SMILESCCCC1CCN(c2nccc(CO)c2F)C1
InChIInChI=1S/C13H19FN2O/c1-2-3-10-5-7-16(8-10)13-12(14)11(9-17)4-6-15-13/h4,6,10,17H,2-3,5,7-9H2,1H3
InChIKeyXGZRABRBSMCOIM-UHFFFAOYSA-N
MW238.31 g/mol
LogP2.34
Rot. Bonds4

About [3-fluoro-2-(3-propylpyrrolidin-1-yl)-4-pyridinyl]methanol

[3-fluoro-2-(3-propylpyrrolidin-1-yl)-4-pyridinyl]methanol (PubChem CID 105383174) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is [3-fluoro-2-(3-propylpyrrolidin-1-yl)-4-pyridinyl]methanol.

Molecular Properties

Compound Name[3-fluoro-2-(3-propylpyrrolidin-1-yl)-4-pyridinyl]methanol
PubChem CID105383174
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC Name[3-fluoro-2-(3-propylpyrrolidin-1-yl)-4-pyridinyl]methanol
SMILESCCCC1CCN(c2nccc(CO)c2F)C1
InChIInChI=1S/C13H19FN2O/c1-2-3-10-5-7-16(8-10)13-12(14)11(9-17)4-6-15-13/h4,6,10,17H,2-3,5,7-9H2,1H3
InChIKeyXGZRABRBSMCOIM-UHFFFAOYSA-N
XLogP2.34
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-fluoro-2-(3-propylpyrrolidin-1-yl)-4-pyridinyl]methanol?
The IUPAC name of [3-fluoro-2-(3-propylpyrrolidin-1-yl)-4-pyridinyl]methanol (CID 105383174) is [3-fluoro-2-(3-propylpyrrolidin-1-yl)-4-pyridinyl]methanol.
What is the SMILES notation for [3-fluoro-2-(3-propylpyrrolidin-1-yl)-4-pyridinyl]methanol?
The canonical SMILES for [3-fluoro-2-(3-propylpyrrolidin-1-yl)-4-pyridinyl]methanol is CCCC1CCN(c2nccc(CO)c2F)C1.
What is the InChIKey of [3-fluoro-2-(3-propylpyrrolidin-1-yl)-4-pyridinyl]methanol?
The InChIKey is XGZRABRBSMCOIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-2-3-10-5-7-16(8-10)13-12(14)11(9-17)4-6-15-13/h4,6,10,17H,2-3,5,7-9H2,1H3.
What are the key properties of [3-fluoro-2-(3-propylpyrrolidin-1-yl)-4-pyridinyl]methanol?
[3-fluoro-2-(3-propylpyrrolidin-1-yl)-4-pyridinyl]methanol has a molecular weight of 238.31 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-2-(3-propylpyrrolidin-1-yl)-4-pyridinyl]methanol is sourced from PubChem (CID 105383174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).