2-[[6-(hydroxymethyl)-2-pyridinyl]-methylamino]ethanol

C9H14N2O2 — CID 62253944

IUPAC2-[[6-(hydroxymethyl)-2-pyridinyl]-methylamino]ethanol
SMILESCN(CCO)c1cccc(CO)n1
InChIInChI=1S/C9H14N2O2/c1-11(5-6-12)9-4-2-3-8(7-13)10-9/h2-4,12-13H,5-7H2,1H3
InChIKeyGWXYPHHSROIKRF-UHFFFAOYSA-N
MW182.22 g/mol
LogP0.00
Rot. Bonds4

About 2-[[6-(hydroxymethyl)-2-pyridinyl]-methylamino]ethanol

2-[[6-(hydroxymethyl)-2-pyridinyl]-methylamino]ethanol (PubChem CID 62253944) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 2-[[6-(hydroxymethyl)-2-pyridinyl]-methylamino]ethanol.

Molecular Properties

Compound Name2-[[6-(hydroxymethyl)-2-pyridinyl]-methylamino]ethanol
PubChem CID62253944
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name2-[[6-(hydroxymethyl)-2-pyridinyl]-methylamino]ethanol
SMILESCN(CCO)c1cccc(CO)n1
InChIInChI=1S/C9H14N2O2/c1-11(5-6-12)9-4-2-3-8(7-13)10-9/h2-4,12-13H,5-7H2,1H3
InChIKeyGWXYPHHSROIKRF-UHFFFAOYSA-N
XLogP0.00
TPSA56.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-(hydroxymethyl)-2-pyridinyl]-methylamino]ethanol?
The IUPAC name of 2-[[6-(hydroxymethyl)-2-pyridinyl]-methylamino]ethanol (CID 62253944) is 2-[[6-(hydroxymethyl)-2-pyridinyl]-methylamino]ethanol.
What is the SMILES notation for 2-[[6-(hydroxymethyl)-2-pyridinyl]-methylamino]ethanol?
The canonical SMILES for 2-[[6-(hydroxymethyl)-2-pyridinyl]-methylamino]ethanol is CN(CCO)c1cccc(CO)n1.
What is the InChIKey of 2-[[6-(hydroxymethyl)-2-pyridinyl]-methylamino]ethanol?
The InChIKey is GWXYPHHSROIKRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-11(5-6-12)9-4-2-3-8(7-13)10-9/h2-4,12-13H,5-7H2,1H3.
What are the key properties of 2-[[6-(hydroxymethyl)-2-pyridinyl]-methylamino]ethanol?
2-[[6-(hydroxymethyl)-2-pyridinyl]-methylamino]ethanol has a molecular weight of 182.22 g/mol, XLogP of 0.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(hydroxymethyl)-2-pyridinyl]-methylamino]ethanol is sourced from PubChem (CID 62253944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).