2-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-6-methylpyridin-3-ol

C12H18N2O2 — CID 103885778

IUPAC2-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-6-methylpyridin-3-ol
SMILESCc1ccc(O)c(CN2CCC[C@H]2CO)n1
InChIInChI=1S/C12H18N2O2/c1-9-4-5-12(16)11(13-9)7-14-6-2-3-10(14)8-15/h4-5,10,15-16H,2-3,6-8H2,1H3/t10-/m0/s1
InChIKeyCDGGIOQRPSZWST-JTQLQIEISA-N
MW222.29 g/mol
LogP1.05
Rot. Bonds3

About 2-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-6-methylpyridin-3-ol

2-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-6-methylpyridin-3-ol (PubChem CID 103885778) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 2-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-6-methylpyridin-3-ol.

Molecular Properties

Compound Name2-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-6-methylpyridin-3-ol
PubChem CID103885778
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name2-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-6-methylpyridin-3-ol
SMILESCc1ccc(O)c(CN2CCC[C@H]2CO)n1
InChIInChI=1S/C12H18N2O2/c1-9-4-5-12(16)11(13-9)7-14-6-2-3-10(14)8-15/h4-5,10,15-16H,2-3,6-8H2,1H3/t10-/m0/s1
InChIKeyCDGGIOQRPSZWST-JTQLQIEISA-N
XLogP1.05
TPSA56.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-ethylpyrrolidin-1-yl)methyl]-6-methylpyridin-3-ol
CID 82982636
N-cyclopropyl-N-[[(2R)-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]methyl]acetamide
CID 129474418
[(2R)-1-[(3-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]methanol
CID 103897843
2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)-6-methylpyridin-3-ol
CID 82986489
6-methyl-2-[(4-propan-2-ylazepan-1-yl)methyl]pyridin-3-ol
CID 82980583
2-[(3-ethylpiperidin-1-yl)methyl]-6-methylpyridin-3-ol
CID 82977177
6-methyl-2-[[3-(2-methyl-1,3-dioxolan-2-yl)piperidin-1-yl]methyl]pyridin-3-ol
CID 75504151
2-[(4-tert-butylazepan-1-yl)methyl]-6-methylpyridin-3-ol
CID 82981092
[1-[(6-amino-3-chloro-2-pyridinyl)methyl]pyrrolidin-2-yl]methanol
CID 62890471
2-[(2,5-diethylpiperazin-1-yl)methyl]-6-methylpyridin-3-ol
CID 79158630
[(2S)-1-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]pyrrolidin-2-yl]methanol
CID 42507543
2-[(4-methoxypiperidin-1-yl)methyl]-6-methylpyridin-3-ol
CID 82976559

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-6-methylpyridin-3-ol?
The IUPAC name of 2-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-6-methylpyridin-3-ol (CID 103885778) is 2-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-6-methylpyridin-3-ol.
What is the SMILES notation for 2-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-6-methylpyridin-3-ol?
The canonical SMILES for 2-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-6-methylpyridin-3-ol is Cc1ccc(O)c(CN2CCC[C@H]2CO)n1.
What is the InChIKey of 2-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-6-methylpyridin-3-ol?
The InChIKey is CDGGIOQRPSZWST-JTQLQIEISA-N. The full InChI is InChI=1S/C12H18N2O2/c1-9-4-5-12(16)11(13-9)7-14-6-2-3-10(14)8-15/h4-5,10,15-16H,2-3,6-8H2,1H3/t10-/m0/s1.
What are the key properties of 2-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-6-methylpyridin-3-ol?
2-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-6-methylpyridin-3-ol has a molecular weight of 222.29 g/mol, XLogP of 1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methyl]-6-methylpyridin-3-ol is sourced from PubChem (CID 103885778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).