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

C12H17FN2O — CID 102809846

IUPAC[1-[(5-fluoro-3-pyridinyl)methyl]-3-methylpyrrolidin-2-yl]methanol
SMILESCC1CCN(Cc2cncc(F)c2)C1CO
InChIInChI=1S/C12H17FN2O/c1-9-2-3-15(12(9)8-16)7-10-4-11(13)6-14-5-10/h4-6,9,12,16H,2-3,7-8H2,1H3
InChIKeyCZQZKBBGMXZXOH-UHFFFAOYSA-N
MW224.28 g/mol
LogP1.42
Rot. Bonds3

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

[1-[(5-fluoro-3-pyridinyl)methyl]-3-methylpyrrolidin-2-yl]methanol (PubChem CID 102809846) has the molecular formula C12H17FN2O and a molecular weight of 224.28 g/mol. Its IUPAC name is [1-[(5-fluoro-3-pyridinyl)methyl]-3-methylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[(5-fluoro-3-pyridinyl)methyl]-3-methylpyrrolidin-2-yl]methanol
PubChem CID102809846
Molecular FormulaC12H17FN2O
Molecular Weight224.28 g/mol
Exact Mass224.13
IUPAC Name[1-[(5-fluoro-3-pyridinyl)methyl]-3-methylpyrrolidin-2-yl]methanol
SMILESCC1CCN(Cc2cncc(F)c2)C1CO
InChIInChI=1S/C12H17FN2O/c1-9-2-3-15(12(9)8-16)7-10-4-11(13)6-14-5-10/h4-6,9,12,16H,2-3,7-8H2,1H3
InChIKeyCZQZKBBGMXZXOH-UHFFFAOYSA-N
XLogP1.42
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 ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,5S)-1-methyl-5-pyridin-3-ylpyrrolidin-3-ol
CID 12960088
[(3S,5S)-1-methyl-5-pyridin-3-ylpyrrolidin-3-yl]methanol
CID 12960091
[(3R,5S)-1-methyl-5-pyridin-3-ylpyrrolidin-3-yl]methanol
CID 12960092
[(2S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methanol
CID 13292843
(3R,4R)-4-(hydroxymethyl)-1-(pyridin-3-ylmethyl)pyrrolidin-3-ol
CID 162646729
ethanol;3-[(2S)-1-methylpyrrolidin-2-yl]pyridine
CID 67218602
(2R,3R,4S)-2-(hydroxymethyl)-1-(pyridin-4-ylmethyl)pyrrolidine-3,4-diol
CID 44568589
(3R,4R,5R)-1-methyl-5-(pyridin-3-yl)-4-(trifluoromethyl)pyrrolidin-3-ol
CID 145453097
[2-Cyclobutyl-8-(3-pyridylmethyl)-2,8-diazaspiro[4.5]dec-4-yl]methanol
CID 91921889
2-[1-(Pyridin-3-ylmethyl)pyrrolidin-3-yl]ethanol
CID 71999794
[(1R,4S)-4-[1-(5-fluoropyridin-3-yl)ethylamino]cyclopent-2-en-1-yl]methanol
CID 86787440
(2S)-2-{[1-(5-fluoropyridin-3-yl)ethyl]amino}-3-methylbutan-1-ol
CID 103788116

Frequently Asked Questions

What is the IUPAC name of [1-[(5-fluoro-3-pyridinyl)methyl]-3-methylpyrrolidin-2-yl]methanol?
The IUPAC name of [1-[(5-fluoro-3-pyridinyl)methyl]-3-methylpyrrolidin-2-yl]methanol (CID 102809846) is [1-[(5-fluoro-3-pyridinyl)methyl]-3-methylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[(5-fluoro-3-pyridinyl)methyl]-3-methylpyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[(5-fluoro-3-pyridinyl)methyl]-3-methylpyrrolidin-2-yl]methanol is CC1CCN(Cc2cncc(F)c2)C1CO.
What is the InChIKey of [1-[(5-fluoro-3-pyridinyl)methyl]-3-methylpyrrolidin-2-yl]methanol?
The InChIKey is CZQZKBBGMXZXOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O/c1-9-2-3-15(12(9)8-16)7-10-4-11(13)6-14-5-10/h4-6,9,12,16H,2-3,7-8H2,1H3.
What are the key properties of [1-[(5-fluoro-3-pyridinyl)methyl]-3-methylpyrrolidin-2-yl]methanol?
[1-[(5-fluoro-3-pyridinyl)methyl]-3-methylpyrrolidin-2-yl]methanol has a molecular weight of 224.28 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(5-fluoro-3-pyridinyl)methyl]-3-methylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 102809846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).