1-[(5-fluoro-3-pyridinyl)methyl]-3-methylpyrrolidin-3-ol

C11H15FN2O — CID 104956338

IUPAC1-[(5-fluoro-3-pyridinyl)methyl]-3-methylpyrrolidin-3-ol
SMILESCC1(O)CCN(Cc2cncc(F)c2)C1
InChIInChI=1S/C11H15FN2O/c1-11(15)2-3-14(8-11)7-9-4-10(12)6-13-5-9/h4-6,15H,2-3,7-8H2,1H3
InChIKeyXCKYLBAGWGFHTL-UHFFFAOYSA-N
MW210.25 g/mol
LogP1.18
Rot. Bonds2

About 1-[(5-fluoro-3-pyridinyl)methyl]-3-methylpyrrolidin-3-ol

1-[(5-fluoro-3-pyridinyl)methyl]-3-methylpyrrolidin-3-ol (PubChem CID 104956338) has the molecular formula C11H15FN2O and a molecular weight of 210.25 g/mol. Its IUPAC name is 1-[(5-fluoro-3-pyridinyl)methyl]-3-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-[(5-fluoro-3-pyridinyl)methyl]-3-methylpyrrolidin-3-ol
PubChem CID104956338
Molecular FormulaC11H15FN2O
Molecular Weight210.25 g/mol
Exact Mass210.12
IUPAC Name1-[(5-fluoro-3-pyridinyl)methyl]-3-methylpyrrolidin-3-ol
SMILESCC1(O)CCN(Cc2cncc(F)c2)C1
InChIInChI=1S/C11H15FN2O/c1-11(15)2-3-14(8-11)7-9-4-10(12)6-13-5-9/h4-6,15H,2-3,7-8H2,1H3
InChIKeyXCKYLBAGWGFHTL-UHFFFAOYSA-N
XLogP1.18
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-Fluoronicotine
CID 204066
(3R,4R)-4-(hydroxymethyl)-1-(pyridin-3-ylmethyl)pyrrolidin-3-ol
CID 162646729
2-Fluoro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-YL)-5-(trifluoromethyl)pyridine
CID 67159100
3-fluoro-5-[(2S)-1-methylpyrrolidin-2-yl]pyridine
CID 21127375
(3R*,4R*)-3,4-dimethyl-1-(3-pyridinylmethyl)-3-pyrrolidinol
CID 72895749
(3R*,4R*)-3,4-dimethyl-1-(4-pyridinylmethyl)-3-pyrrolidinol
CID 72904453
(3R*,4R*)-3-cyclopropyl-4-methyl-1-(4-pyridinylmethyl)-3-pyrrolidinol
CID 72936250
3-Methyl-7-(pyridin-3-ylmethyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene
CID 134794148
3-Butyn-2-ol, 2-methyl-4-[5-(1-methyl-2-pyrrolidinyl)-3-pyridinyl]-
CID 5246890
3-[(Dimethylamino)methyl]-1-[(5-ethyl-2-pyridinyl)methyl]-3-pyrrolidinol
CID 70733403
1-(Pyridin-4-ylmethyl)-3-(pyrrolidin-1-ylmethyl)piperidin-3-ol
CID 70771558
1-(Pyridin-3-ylmethyl)-4-(pyrrolidin-1-ylmethyl)piperidin-4-OL
CID 77091703

Frequently Asked Questions

What is the IUPAC name of 1-[(5-fluoro-3-pyridinyl)methyl]-3-methylpyrrolidin-3-ol?
The IUPAC name of 1-[(5-fluoro-3-pyridinyl)methyl]-3-methylpyrrolidin-3-ol (CID 104956338) is 1-[(5-fluoro-3-pyridinyl)methyl]-3-methylpyrrolidin-3-ol.
What is the SMILES notation for 1-[(5-fluoro-3-pyridinyl)methyl]-3-methylpyrrolidin-3-ol?
The canonical SMILES for 1-[(5-fluoro-3-pyridinyl)methyl]-3-methylpyrrolidin-3-ol is CC1(O)CCN(Cc2cncc(F)c2)C1.
What is the InChIKey of 1-[(5-fluoro-3-pyridinyl)methyl]-3-methylpyrrolidin-3-ol?
The InChIKey is XCKYLBAGWGFHTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O/c1-11(15)2-3-14(8-11)7-9-4-10(12)6-13-5-9/h4-6,15H,2-3,7-8H2,1H3.
What are the key properties of 1-[(5-fluoro-3-pyridinyl)methyl]-3-methylpyrrolidin-3-ol?
1-[(5-fluoro-3-pyridinyl)methyl]-3-methylpyrrolidin-3-ol has a molecular weight of 210.25 g/mol, XLogP of 1.18, 2 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-3-ol is sourced from PubChem (CID 104956338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).