2-[(5-chloro-3-fluoro-2-pyridinyl)-methylamino]ethanol

C8H10ClFN2O — CID 79727358

IUPAC2-[(5-chloro-3-fluoro-2-pyridinyl)-methylamino]ethanol
SMILESCN(CCO)c1ncc(Cl)cc1F
InChIInChI=1S/C8H10ClFN2O/c1-12(2-3-13)8-7(10)4-6(9)5-11-8/h4-5,13H,2-3H2,1H3
InChIKeyWBIQOAOWXPGYEU-UHFFFAOYSA-N
MW204.63 g/mol
LogP1.30
Rot. Bonds3

About 2-[(5-chloro-3-fluoro-2-pyridinyl)-methylamino]ethanol

2-[(5-chloro-3-fluoro-2-pyridinyl)-methylamino]ethanol (PubChem CID 79727358) has the molecular formula C8H10ClFN2O and a molecular weight of 204.63 g/mol. Its IUPAC name is 2-[(5-chloro-3-fluoro-2-pyridinyl)-methylamino]ethanol.

Molecular Properties

Compound Name2-[(5-chloro-3-fluoro-2-pyridinyl)-methylamino]ethanol
PubChem CID79727358
Molecular FormulaC8H10ClFN2O
Molecular Weight204.63 g/mol
Exact Mass204.05
IUPAC Name2-[(5-chloro-3-fluoro-2-pyridinyl)-methylamino]ethanol
SMILESCN(CCO)c1ncc(Cl)cc1F
InChIInChI=1S/C8H10ClFN2O/c1-12(2-3-13)8-7(10)4-6(9)5-11-8/h4-5,13H,2-3H2,1H3
InChIKeyWBIQOAOWXPGYEU-UHFFFAOYSA-N
XLogP1.30
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.63
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-3-fluoro-2-pyridinyl)-methylamino]ethanol?
The IUPAC name of 2-[(5-chloro-3-fluoro-2-pyridinyl)-methylamino]ethanol (CID 79727358) is 2-[(5-chloro-3-fluoro-2-pyridinyl)-methylamino]ethanol.
What is the SMILES notation for 2-[(5-chloro-3-fluoro-2-pyridinyl)-methylamino]ethanol?
The canonical SMILES for 2-[(5-chloro-3-fluoro-2-pyridinyl)-methylamino]ethanol is CN(CCO)c1ncc(Cl)cc1F.
What is the InChIKey of 2-[(5-chloro-3-fluoro-2-pyridinyl)-methylamino]ethanol?
The InChIKey is WBIQOAOWXPGYEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClFN2O/c1-12(2-3-13)8-7(10)4-6(9)5-11-8/h4-5,13H,2-3H2,1H3.
What are the key properties of 2-[(5-chloro-3-fluoro-2-pyridinyl)-methylamino]ethanol?
2-[(5-chloro-3-fluoro-2-pyridinyl)-methylamino]ethanol has a molecular weight of 204.63 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-3-fluoro-2-pyridinyl)-methylamino]ethanol is sourced from PubChem (CID 79727358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).