[(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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Related Compounds

2-[(3-ethylazetidin-1-yl)methyl]-5-fluoropyridine
CID 177348339
[(2R)-1,4-bis[(5-fluoro-2-pyridinyl)methyl]piperazin-2-yl]methanol
CID 164637421
(3S)-1-[(5-fluoro-2-pyridinyl)methyl]-3-methylpiperidin-4-one
CID 129481804
(1-benzyl-4-methylpyrrolidin-3-yl)methanol
CID 18713552
6-[(3,5-dimethylpiperidin-1-yl)methyl]pyridin-3-ol
CID 82975085
[(3S,4R)-4-amino-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]methanol
CID 173262646
1-[(5-bromo-2-pyridinyl)methyl]-3-methylpiperidin-4-amine
CID 115741486
N-[(3R,4R)-1-[(5-fluoro-2-pyridinyl)methyl]-4-hydroxypyrrolidin-3-yl]-1H-pyrazole-5-carboxamide
CID 110133226
(3R,4R,5R)-1-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)piperidine-3,4-diol
CID 67510634
5-tert-butyl-2-[(3,4-difluoropyrrolidin-1-yl)methyl]pyridine
CID 176703031
[(3R,4R)-4-[(dimethylamino)methyl]-1-[(4-fluoro-2-methylphenyl)methyl]pyrrolidin-3-yl]methanol
CID 70741382
3-[(3R,4R)-1-[(5-fluoro-2-pyridinyl)methyl]-4-hydroxypyrrolidin-3-yl]oxybenzoic acid
CID 110146723

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).