[(2S)-2-pyrrolidin-1-yl-1H-pyridin-2-yl]methanol

C10H16N2O — CID 67605567

IUPAC[(2S)-2-pyrrolidin-1-yl-1H-pyridin-2-yl]methanol
SMILESOC[C@@]1(N2CCCC2)C=CC=CN1
InChIInChI=1S/C10H16N2O/c13-9-10(5-1-2-6-11-10)12-7-3-4-8-12/h1-2,5-6,11,13H,3-4,7-9H2/t10-/m0/s1
InChIKeyQJYXIOLFSMXHRL-JTQLQIEISA-N
MW180.25 g/mol
LogP0.44
Rot. Bonds2

About [(2S)-2-pyrrolidin-1-yl-1H-pyridin-2-yl]methanol

[(2S)-2-pyrrolidin-1-yl-1H-pyridin-2-yl]methanol (PubChem CID 67605567) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is [(2S)-2-pyrrolidin-1-yl-1H-pyridin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-2-pyrrolidin-1-yl-1H-pyridin-2-yl]methanol
PubChem CID67605567
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name[(2S)-2-pyrrolidin-1-yl-1H-pyridin-2-yl]methanol
SMILESOC[C@@]1(N2CCCC2)C=CC=CN1
InChIInChI=1S/C10H16N2O/c13-9-10(5-1-2-6-11-10)12-7-3-4-8-12/h1-2,5-6,11,13H,3-4,7-9H2/t10-/m0/s1
InChIKeyQJYXIOLFSMXHRL-JTQLQIEISA-N
XLogP0.44
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2S)-2-pyrrolidin-1-yl-1H-pyridin-2-yl]methanol?
The IUPAC name of [(2S)-2-pyrrolidin-1-yl-1H-pyridin-2-yl]methanol (CID 67605567) is [(2S)-2-pyrrolidin-1-yl-1H-pyridin-2-yl]methanol.
What is the SMILES notation for [(2S)-2-pyrrolidin-1-yl-1H-pyridin-2-yl]methanol?
The canonical SMILES for [(2S)-2-pyrrolidin-1-yl-1H-pyridin-2-yl]methanol is OC[C@@]1(N2CCCC2)C=CC=CN1.
What is the InChIKey of [(2S)-2-pyrrolidin-1-yl-1H-pyridin-2-yl]methanol?
The InChIKey is QJYXIOLFSMXHRL-JTQLQIEISA-N. The full InChI is InChI=1S/C10H16N2O/c13-9-10(5-1-2-6-11-10)12-7-3-4-8-12/h1-2,5-6,11,13H,3-4,7-9H2/t10-/m0/s1.
What are the key properties of [(2S)-2-pyrrolidin-1-yl-1H-pyridin-2-yl]methanol?
[(2S)-2-pyrrolidin-1-yl-1H-pyridin-2-yl]methanol has a molecular weight of 180.25 g/mol, XLogP of 0.44, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-pyrrolidin-1-yl-1H-pyridin-2-yl]methanol is sourced from PubChem (CID 67605567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).