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

C8H11FN2O — CID 61229567

IUPAC2-[(6-fluoro-2-pyridinyl)-methylamino]ethanol
SMILESCN(CCO)c1cccc(F)n1
InChIInChI=1S/C8H11FN2O/c1-11(5-6-12)8-4-2-3-7(9)10-8/h2-4,12H,5-6H2,1H3
InChIKeyIXAGQXXJJAMXMY-UHFFFAOYSA-N
MW170.19 g/mol
LogP0.65
Rot. Bonds3

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

2-[(6-fluoro-2-pyridinyl)-methylamino]ethanol (PubChem CID 61229567) has the molecular formula C8H11FN2O and a molecular weight of 170.19 g/mol. Its IUPAC name is 2-[(6-fluoro-2-pyridinyl)-methylamino]ethanol.

Molecular Properties

Compound Name2-[(6-fluoro-2-pyridinyl)-methylamino]ethanol
PubChem CID61229567
Molecular FormulaC8H11FN2O
Molecular Weight170.19 g/mol
Exact Mass170.09
IUPAC Name2-[(6-fluoro-2-pyridinyl)-methylamino]ethanol
SMILESCN(CCO)c1cccc(F)n1
InChIInChI=1S/C8H11FN2O/c1-11(5-6-12)8-4-2-3-7(9)10-8/h2-4,12H,5-6H2,1H3
InChIKeyIXAGQXXJJAMXMY-UHFFFAOYSA-N
XLogP0.65
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.19
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-fluoro-2-pyridinyl)-methylamino]ethanol?
The IUPAC name of 2-[(6-fluoro-2-pyridinyl)-methylamino]ethanol (CID 61229567) is 2-[(6-fluoro-2-pyridinyl)-methylamino]ethanol.
What is the SMILES notation for 2-[(6-fluoro-2-pyridinyl)-methylamino]ethanol?
The canonical SMILES for 2-[(6-fluoro-2-pyridinyl)-methylamino]ethanol is CN(CCO)c1cccc(F)n1.
What is the InChIKey of 2-[(6-fluoro-2-pyridinyl)-methylamino]ethanol?
The InChIKey is IXAGQXXJJAMXMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN2O/c1-11(5-6-12)8-4-2-3-7(9)10-8/h2-4,12H,5-6H2,1H3.
What are the key properties of 2-[(6-fluoro-2-pyridinyl)-methylamino]ethanol?
2-[(6-fluoro-2-pyridinyl)-methylamino]ethanol has a molecular weight of 170.19 g/mol, XLogP of 0.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-fluoro-2-pyridinyl)-methylamino]ethanol is sourced from PubChem (CID 61229567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).