2-[(4-fluoro-2-pyridinyl)oxy]ethanamine;hydrochloride

C7H10ClFN2O — CID 176730678

IUPAC2-[(4-fluoro-2-pyridinyl)oxy]ethanamine;hydrochloride
SMILESCl.NCCOc1cc(F)ccn1
InChIInChI=1S/C7H9FN2O.ClH/c8-6-1-3-10-7(5-6)11-4-2-9;/h1,3,5H,2,4,9H2;1H
InChIKeyGCCUBPMOMLWKDA-UHFFFAOYSA-N
MW192.62 g/mol
LogP0.98
Rot. Bonds3

About 2-[(4-fluoro-2-pyridinyl)oxy]ethanamine;hydrochloride

2-[(4-fluoro-2-pyridinyl)oxy]ethanamine;hydrochloride (PubChem CID 176730678) has the molecular formula C7H10ClFN2O and a molecular weight of 192.62 g/mol. Its IUPAC name is 2-[(4-fluoro-2-pyridinyl)oxy]ethanamine;hydrochloride.

Molecular Properties

Compound Name2-[(4-fluoro-2-pyridinyl)oxy]ethanamine;hydrochloride
PubChem CID176730678
Molecular FormulaC7H10ClFN2O
Molecular Weight192.62 g/mol
Exact Mass192.05
IUPAC Name2-[(4-fluoro-2-pyridinyl)oxy]ethanamine;hydrochloride
SMILESCl.NCCOc1cc(F)ccn1
InChIInChI=1S/C7H9FN2O.ClH/c8-6-1-3-10-7(5-6)11-4-2-9;/h1,3,5H,2,4,9H2;1H
InChIKeyGCCUBPMOMLWKDA-UHFFFAOYSA-N
XLogP0.98
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.62
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluoro-2-pyridinyl)oxy]ethanamine;hydrochloride?
The IUPAC name of 2-[(4-fluoro-2-pyridinyl)oxy]ethanamine;hydrochloride (CID 176730678) is 2-[(4-fluoro-2-pyridinyl)oxy]ethanamine;hydrochloride.
What is the SMILES notation for 2-[(4-fluoro-2-pyridinyl)oxy]ethanamine;hydrochloride?
The canonical SMILES for 2-[(4-fluoro-2-pyridinyl)oxy]ethanamine;hydrochloride is Cl.NCCOc1cc(F)ccn1.
What is the InChIKey of 2-[(4-fluoro-2-pyridinyl)oxy]ethanamine;hydrochloride?
The InChIKey is GCCUBPMOMLWKDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9FN2O.ClH/c8-6-1-3-10-7(5-6)11-4-2-9;/h1,3,5H,2,4,9H2;1H.
What are the key properties of 2-[(4-fluoro-2-pyridinyl)oxy]ethanamine;hydrochloride?
2-[(4-fluoro-2-pyridinyl)oxy]ethanamine;hydrochloride has a molecular weight of 192.62 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluoro-2-pyridinyl)oxy]ethanamine;hydrochloride is sourced from PubChem (CID 176730678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).