3-[1-(5-fluoro-2-pyridinyl)ethylamino]phenol

C13H13FN2O — CID 83117669

IUPAC3-[1-(5-fluoro-2-pyridinyl)ethylamino]phenol
SMILESCC(Nc1cccc(O)c1)c1ccc(F)cn1
InChIInChI=1S/C13H13FN2O/c1-9(13-6-5-10(14)8-15-13)16-11-3-2-4-12(17)7-11/h2-9,16-17H,1H3
InChIKeyVLVHDXJJMLDOQU-UHFFFAOYSA-N
MW232.26 g/mol
LogP3.10
Rot. Bonds3

About 3-[1-(5-fluoro-2-pyridinyl)ethylamino]phenol

3-[1-(5-fluoro-2-pyridinyl)ethylamino]phenol (PubChem CID 83117669) has the molecular formula C13H13FN2O and a molecular weight of 232.26 g/mol. Its IUPAC name is 3-[1-(5-fluoro-2-pyridinyl)ethylamino]phenol.

Molecular Properties

Compound Name3-[1-(5-fluoro-2-pyridinyl)ethylamino]phenol
PubChem CID83117669
Molecular FormulaC13H13FN2O
Molecular Weight232.26 g/mol
Exact Mass232.10
IUPAC Name3-[1-(5-fluoro-2-pyridinyl)ethylamino]phenol
SMILESCC(Nc1cccc(O)c1)c1ccc(F)cn1
InChIInChI=1S/C13H13FN2O/c1-9(13-6-5-10(14)8-15-13)16-11-3-2-4-12(17)7-11/h2-9,16-17H,1H3
InChIKeyVLVHDXJJMLDOQU-UHFFFAOYSA-N
XLogP3.10
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(5-fluoro-2-pyridinyl)ethylamino]phenol?
The IUPAC name of 3-[1-(5-fluoro-2-pyridinyl)ethylamino]phenol (CID 83117669) is 3-[1-(5-fluoro-2-pyridinyl)ethylamino]phenol.
What is the SMILES notation for 3-[1-(5-fluoro-2-pyridinyl)ethylamino]phenol?
The canonical SMILES for 3-[1-(5-fluoro-2-pyridinyl)ethylamino]phenol is CC(Nc1cccc(O)c1)c1ccc(F)cn1.
What is the InChIKey of 3-[1-(5-fluoro-2-pyridinyl)ethylamino]phenol?
The InChIKey is VLVHDXJJMLDOQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O/c1-9(13-6-5-10(14)8-15-13)16-11-3-2-4-12(17)7-11/h2-9,16-17H,1H3.
What are the key properties of 3-[1-(5-fluoro-2-pyridinyl)ethylamino]phenol?
3-[1-(5-fluoro-2-pyridinyl)ethylamino]phenol has a molecular weight of 232.26 g/mol, XLogP of 3.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(5-fluoro-2-pyridinyl)ethylamino]phenol is sourced from PubChem (CID 83117669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).