(3S)-1-(3-fluoro-2-pyridinyl)-4,4-dimethylpyrrolidin-3-ol

C11H15FN2O — CID 129479886

IUPAC(3S)-1-(3-fluoro-2-pyridinyl)-4,4-dimethylpyrrolidin-3-ol
SMILESCC1(C)CN(c2ncccc2F)C[C@H]1O
InChIInChI=1S/C11H15FN2O/c1-11(2)7-14(6-9(11)15)10-8(12)4-3-5-13-10/h3-5,9,15H,6-7H2,1-2H3/t9-/m1/s1
InChIKeyUEGVWHVSUHDHHI-SECBINFHSA-N
MW210.25 g/mol
LogP1.43
Rot. Bonds1

About (3S)-1-(3-fluoro-2-pyridinyl)-4,4-dimethylpyrrolidin-3-ol

(3S)-1-(3-fluoro-2-pyridinyl)-4,4-dimethylpyrrolidin-3-ol (PubChem CID 129479886) has the molecular formula C11H15FN2O and a molecular weight of 210.25 g/mol. Its IUPAC name is (3S)-1-(3-fluoro-2-pyridinyl)-4,4-dimethylpyrrolidin-3-ol.

Molecular Properties

Compound Name(3S)-1-(3-fluoro-2-pyridinyl)-4,4-dimethylpyrrolidin-3-ol
PubChem CID129479886
Molecular FormulaC11H15FN2O
Molecular Weight210.25 g/mol
Exact Mass210.12
IUPAC Name(3S)-1-(3-fluoro-2-pyridinyl)-4,4-dimethylpyrrolidin-3-ol
SMILESCC1(C)CN(c2ncccc2F)C[C@H]1O
InChIInChI=1S/C11H15FN2O/c1-11(2)7-14(6-9(11)15)10-8(12)4-3-5-13-10/h3-5,9,15H,6-7H2,1-2H3/t9-/m1/s1
InChIKeyUEGVWHVSUHDHHI-SECBINFHSA-N
XLogP1.43
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-(3-fluoro-2-pyridinyl)-4,4-dimethylpyrrolidin-3-ol?
The IUPAC name of (3S)-1-(3-fluoro-2-pyridinyl)-4,4-dimethylpyrrolidin-3-ol (CID 129479886) is (3S)-1-(3-fluoro-2-pyridinyl)-4,4-dimethylpyrrolidin-3-ol.
What is the SMILES notation for (3S)-1-(3-fluoro-2-pyridinyl)-4,4-dimethylpyrrolidin-3-ol?
The canonical SMILES for (3S)-1-(3-fluoro-2-pyridinyl)-4,4-dimethylpyrrolidin-3-ol is CC1(C)CN(c2ncccc2F)C[C@H]1O.
What is the InChIKey of (3S)-1-(3-fluoro-2-pyridinyl)-4,4-dimethylpyrrolidin-3-ol?
The InChIKey is UEGVWHVSUHDHHI-SECBINFHSA-N. The full InChI is InChI=1S/C11H15FN2O/c1-11(2)7-14(6-9(11)15)10-8(12)4-3-5-13-10/h3-5,9,15H,6-7H2,1-2H3/t9-/m1/s1.
What are the key properties of (3S)-1-(3-fluoro-2-pyridinyl)-4,4-dimethylpyrrolidin-3-ol?
(3S)-1-(3-fluoro-2-pyridinyl)-4,4-dimethylpyrrolidin-3-ol has a molecular weight of 210.25 g/mol, XLogP of 1.43, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(3-fluoro-2-pyridinyl)-4,4-dimethylpyrrolidin-3-ol is sourced from PubChem (CID 129479886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).