2-[1-[(2S)-2-methylpyrrolidin-1-yl]ethyl]pyridin-3-ol

C12H18N2O — CID 148926259

IUPAC2-[1-[(2S)-2-methylpyrrolidin-1-yl]ethyl]pyridin-3-ol
SMILESCC(c1ncccc1O)N1CCC[C@@H]1C
InChIInChI=1S/C12H18N2O/c1-9-5-4-8-14(9)10(2)12-11(15)6-3-7-13-12/h3,6-7,9-10,15H,4-5,8H2,1-2H3/t9-,10?/m0/s1
InChIKeyPLAVXDCTKBXYSD-RGURZIINSA-N
MW206.29 g/mol
LogP2.33
Rot. Bonds2

About 2-[1-[(2S)-2-methylpyrrolidin-1-yl]ethyl]pyridin-3-ol

2-[1-[(2S)-2-methylpyrrolidin-1-yl]ethyl]pyridin-3-ol (PubChem CID 148926259) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 2-[1-[(2S)-2-methylpyrrolidin-1-yl]ethyl]pyridin-3-ol.

Molecular Properties

Compound Name2-[1-[(2S)-2-methylpyrrolidin-1-yl]ethyl]pyridin-3-ol
PubChem CID148926259
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name2-[1-[(2S)-2-methylpyrrolidin-1-yl]ethyl]pyridin-3-ol
SMILESCC(c1ncccc1O)N1CCC[C@@H]1C
InChIInChI=1S/C12H18N2O/c1-9-5-4-8-14(9)10(2)12-11(15)6-3-7-13-12/h3,6-7,9-10,15H,4-5,8H2,1-2H3/t9-,10?/m0/s1
InChIKeyPLAVXDCTKBXYSD-RGURZIINSA-N
XLogP2.33
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2S)-2-methylpyrrolidin-1-yl]ethyl]pyridin-3-ol?
The IUPAC name of 2-[1-[(2S)-2-methylpyrrolidin-1-yl]ethyl]pyridin-3-ol (CID 148926259) is 2-[1-[(2S)-2-methylpyrrolidin-1-yl]ethyl]pyridin-3-ol.
What is the SMILES notation for 2-[1-[(2S)-2-methylpyrrolidin-1-yl]ethyl]pyridin-3-ol?
The canonical SMILES for 2-[1-[(2S)-2-methylpyrrolidin-1-yl]ethyl]pyridin-3-ol is CC(c1ncccc1O)N1CCC[C@@H]1C.
What is the InChIKey of 2-[1-[(2S)-2-methylpyrrolidin-1-yl]ethyl]pyridin-3-ol?
The InChIKey is PLAVXDCTKBXYSD-RGURZIINSA-N. The full InChI is InChI=1S/C12H18N2O/c1-9-5-4-8-14(9)10(2)12-11(15)6-3-7-13-12/h3,6-7,9-10,15H,4-5,8H2,1-2H3/t9-,10?/m0/s1.
What are the key properties of 2-[1-[(2S)-2-methylpyrrolidin-1-yl]ethyl]pyridin-3-ol?
2-[1-[(2S)-2-methylpyrrolidin-1-yl]ethyl]pyridin-3-ol has a molecular weight of 206.29 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2S)-2-methylpyrrolidin-1-yl]ethyl]pyridin-3-ol is sourced from PubChem (CID 148926259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).