[(3S,4S)-1-[(5-fluoro-2-pyridinyl)methyl]-4-methylpyrrolidin-3-yl]methanol

C12H17FN2O — CID 126785786

IUPAC[(3S,4S)-1-[(5-fluoro-2-pyridinyl)methyl]-4-methylpyrrolidin-3-yl]methanol
SMILESC[C@@H]1CN(Cc2ccc(F)cn2)C[C@H]1CO
InChIInChI=1S/C12H17FN2O/c1-9-5-15(6-10(9)8-16)7-12-3-2-11(13)4-14-12/h2-4,9-10,16H,5-8H2,1H3/t9-,10+/m1/s1
InChIKeyIRCKDOYWJPFMFN-ZJUUUORDSA-N
MW224.28 g/mol
LogP1.28
Rot. Bonds3

About [(3S,4S)-1-[(5-fluoro-2-pyridinyl)methyl]-4-methylpyrrolidin-3-yl]methanol

[(3S,4S)-1-[(5-fluoro-2-pyridinyl)methyl]-4-methylpyrrolidin-3-yl]methanol (PubChem CID 126785786) has the molecular formula C12H17FN2O and a molecular weight of 224.28 g/mol. Its IUPAC name is [(3S,4S)-1-[(5-fluoro-2-pyridinyl)methyl]-4-methylpyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[(3S,4S)-1-[(5-fluoro-2-pyridinyl)methyl]-4-methylpyrrolidin-3-yl]methanol
PubChem CID126785786
Molecular FormulaC12H17FN2O
Molecular Weight224.28 g/mol
Exact Mass224.13
IUPAC Name[(3S,4S)-1-[(5-fluoro-2-pyridinyl)methyl]-4-methylpyrrolidin-3-yl]methanol
SMILESC[C@@H]1CN(Cc2ccc(F)cn2)C[C@H]1CO
InChIInChI=1S/C12H17FN2O/c1-9-5-15(6-10(9)8-16)7-12-3-2-11(13)4-14-12/h2-4,9-10,16H,5-8H2,1H3/t9-,10+/m1/s1
InChIKeyIRCKDOYWJPFMFN-ZJUUUORDSA-N
XLogP1.28
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(3S,4S)-1-[(5-fluoro-2-pyridinyl)methyl]-4-methylpyrrolidin-3-yl]methanol?
The IUPAC name of [(3S,4S)-1-[(5-fluoro-2-pyridinyl)methyl]-4-methylpyrrolidin-3-yl]methanol (CID 126785786) is [(3S,4S)-1-[(5-fluoro-2-pyridinyl)methyl]-4-methylpyrrolidin-3-yl]methanol.
What is the SMILES notation for [(3S,4S)-1-[(5-fluoro-2-pyridinyl)methyl]-4-methylpyrrolidin-3-yl]methanol?
The canonical SMILES for [(3S,4S)-1-[(5-fluoro-2-pyridinyl)methyl]-4-methylpyrrolidin-3-yl]methanol is C[C@@H]1CN(Cc2ccc(F)cn2)C[C@H]1CO.
What is the InChIKey of [(3S,4S)-1-[(5-fluoro-2-pyridinyl)methyl]-4-methylpyrrolidin-3-yl]methanol?
The InChIKey is IRCKDOYWJPFMFN-ZJUUUORDSA-N. The full InChI is InChI=1S/C12H17FN2O/c1-9-5-15(6-10(9)8-16)7-12-3-2-11(13)4-14-12/h2-4,9-10,16H,5-8H2,1H3/t9-,10+/m1/s1.
What are the key properties of [(3S,4S)-1-[(5-fluoro-2-pyridinyl)methyl]-4-methylpyrrolidin-3-yl]methanol?
[(3S,4S)-1-[(5-fluoro-2-pyridinyl)methyl]-4-methylpyrrolidin-3-yl]methanol has a molecular weight of 224.28 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4S)-1-[(5-fluoro-2-pyridinyl)methyl]-4-methylpyrrolidin-3-yl]methanol is sourced from PubChem (CID 126785786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).