2-(pyridin-3-ylmethylamino)ethanol

C8H12N2O — CID 3127274

IUPAC2-(pyridin-3-ylmethylamino)ethanol
SMILESOCCNCc1cccnc1
InChIInChI=1S/C8H12N2O/c11-5-4-10-7-8-2-1-3-9-6-8/h1-3,6,10-11H,4-5,7H2
InChIKeyQOBASENDLSYOKH-UHFFFAOYSA-N
MW152.20 g/mol
LogP0.16
Rot. Bonds4

About 2-(pyridin-3-ylmethylamino)ethanol

2-(pyridin-3-ylmethylamino)ethanol (PubChem CID 3127274) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 2-(pyridin-3-ylmethylamino)ethanol.

Molecular Properties

Compound Name2-(pyridin-3-ylmethylamino)ethanol
PubChem CID3127274
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name2-(pyridin-3-ylmethylamino)ethanol
SMILESOCCNCc1cccnc1
InChIInChI=1S/C8H12N2O/c11-5-4-10-7-8-2-1-3-9-6-8/h1-3,6,10-11H,4-5,7H2
InChIKeyQOBASENDLSYOKH-UHFFFAOYSA-N
XLogP0.16
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(pyridin-3-ylmethylamino)ethanol?
The IUPAC name of 2-(pyridin-3-ylmethylamino)ethanol (CID 3127274) is 2-(pyridin-3-ylmethylamino)ethanol.
What is the SMILES notation for 2-(pyridin-3-ylmethylamino)ethanol?
The canonical SMILES for 2-(pyridin-3-ylmethylamino)ethanol is OCCNCc1cccnc1.
What is the InChIKey of 2-(pyridin-3-ylmethylamino)ethanol?
The InChIKey is QOBASENDLSYOKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c11-5-4-10-7-8-2-1-3-9-6-8/h1-3,6,10-11H,4-5,7H2.
What are the key properties of 2-(pyridin-3-ylmethylamino)ethanol?
2-(pyridin-3-ylmethylamino)ethanol has a molecular weight of 152.20 g/mol, XLogP of 0.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyridin-3-ylmethylamino)ethanol is sourced from PubChem (CID 3127274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).