2-[1-(3,5-difluoro-2-pyridinyl)pyrrolidin-3-yl]ethanol

C11H14F2N2O — CID 114799515

IUPAC2-[1-(3,5-difluoro-2-pyridinyl)pyrrolidin-3-yl]ethanol
SMILESOCCC1CCN(c2ncc(F)cc2F)C1
InChIInChI=1S/C11H14F2N2O/c12-9-5-10(13)11(14-6-9)15-3-1-8(7-15)2-4-16/h5-6,8,16H,1-4,7H2
InChIKeyQKAUQHXLSCISMF-UHFFFAOYSA-N
MW228.24 g/mol
LogP1.57
Rot. Bonds3

About 2-[1-(3,5-difluoro-2-pyridinyl)pyrrolidin-3-yl]ethanol

2-[1-(3,5-difluoro-2-pyridinyl)pyrrolidin-3-yl]ethanol (PubChem CID 114799515) has the molecular formula C11H14F2N2O and a molecular weight of 228.24 g/mol. Its IUPAC name is 2-[1-(3,5-difluoro-2-pyridinyl)pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-(3,5-difluoro-2-pyridinyl)pyrrolidin-3-yl]ethanol
PubChem CID114799515
Molecular FormulaC11H14F2N2O
Molecular Weight228.24 g/mol
Exact Mass228.11
IUPAC Name2-[1-(3,5-difluoro-2-pyridinyl)pyrrolidin-3-yl]ethanol
SMILESOCCC1CCN(c2ncc(F)cc2F)C1
InChIInChI=1S/C11H14F2N2O/c12-9-5-10(13)11(14-6-9)15-3-1-8(7-15)2-4-16/h5-6,8,16H,1-4,7H2
InChIKeyQKAUQHXLSCISMF-UHFFFAOYSA-N
XLogP1.57
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.24
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(3,5-difluoro-2-pyridinyl)piperidin-4-yl]ethanamine
CID 112676170
1-(3,5-difluoro-2-pyridinyl)piperidin-4-ol
CID 112676295
N-[[1-(3,5-difluoro-2-pyridinyl)piperidin-4-yl]methyl]propan-1-amine
CID 112676467
1-(3,5-difluoro-2-pyridinyl)-3-ethylpiperidin-4-amine
CID 112676232
N-[[1-(3,5-difluoro-2-pyridinyl)piperidin-3-yl]methyl]cyclopropanamine
CID 112676486
N-[[1-(3,5-difluoro-2-pyridinyl)piperidin-3-yl]methyl]propan-2-amine
CID 112676134
[1-(5-bromo-3-fluoro-2-pyridinyl)piperidin-4-yl]methanol
CID 104918893
2-(1-pyrimidin-2-ylpyrrolidin-3-yl)ethanol
CID 77059115
1-(3,5-difluoro-2-pyridinyl)piperidine-4-carbaldehyde
CID 112676509
2-[1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]ethanamine
CID 114802329
2-[1-[5-[(tert-butylamino)methyl]-3-methyl-2-pyridinyl]pyrrolidin-3-yl]ethanol
CID 114798609
2-[1-(2-amino-5-chloropyrimidin-4-yl)pyrrolidin-3-yl]ethanol
CID 114802870

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,5-difluoro-2-pyridinyl)pyrrolidin-3-yl]ethanol?
The IUPAC name of 2-[1-(3,5-difluoro-2-pyridinyl)pyrrolidin-3-yl]ethanol (CID 114799515) is 2-[1-(3,5-difluoro-2-pyridinyl)pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 2-[1-(3,5-difluoro-2-pyridinyl)pyrrolidin-3-yl]ethanol?
The canonical SMILES for 2-[1-(3,5-difluoro-2-pyridinyl)pyrrolidin-3-yl]ethanol is OCCC1CCN(c2ncc(F)cc2F)C1.
What is the InChIKey of 2-[1-(3,5-difluoro-2-pyridinyl)pyrrolidin-3-yl]ethanol?
The InChIKey is QKAUQHXLSCISMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O/c12-9-5-10(13)11(14-6-9)15-3-1-8(7-15)2-4-16/h5-6,8,16H,1-4,7H2.
What are the key properties of 2-[1-(3,5-difluoro-2-pyridinyl)pyrrolidin-3-yl]ethanol?
2-[1-(3,5-difluoro-2-pyridinyl)pyrrolidin-3-yl]ethanol has a molecular weight of 228.24 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,5-difluoro-2-pyridinyl)pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 114799515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).