2-[(5-chloro-3-fluoro-2-pyridinyl)oxy]-N-ethylethanamine

C9H12ClFN2O — CID 79734651

IUPAC2-[(5-chloro-3-fluoro-2-pyridinyl)oxy]-N-ethylethanamine
SMILESCCNCCOc1ncc(Cl)cc1F
InChIInChI=1S/C9H12ClFN2O/c1-2-12-3-4-14-9-8(11)5-7(10)6-13-9/h5-6,12H,2-4H2,1H3
InChIKeyXFMKDQGEPYWRDS-UHFFFAOYSA-N
MW218.66 g/mol
LogP1.86
Rot. Bonds5

About 2-[(5-chloro-3-fluoro-2-pyridinyl)oxy]-N-ethylethanamine

2-[(5-chloro-3-fluoro-2-pyridinyl)oxy]-N-ethylethanamine (PubChem CID 79734651) has the molecular formula C9H12ClFN2O and a molecular weight of 218.66 g/mol. Its IUPAC name is 2-[(5-chloro-3-fluoro-2-pyridinyl)oxy]-N-ethylethanamine.

Molecular Properties

Compound Name2-[(5-chloro-3-fluoro-2-pyridinyl)oxy]-N-ethylethanamine
PubChem CID79734651
Molecular FormulaC9H12ClFN2O
Molecular Weight218.66 g/mol
Exact Mass218.06
IUPAC Name2-[(5-chloro-3-fluoro-2-pyridinyl)oxy]-N-ethylethanamine
SMILESCCNCCOc1ncc(Cl)cc1F
InChIInChI=1S/C9H12ClFN2O/c1-2-12-3-4-14-9-8(11)5-7(10)6-13-9/h5-6,12H,2-4H2,1H3
InChIKeyXFMKDQGEPYWRDS-UHFFFAOYSA-N
XLogP1.86
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.66
LogP ≤ 51.86
H-Bond Donors ≤ 51
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-[(5-chloro-3-fluoro-2-pyridinyl)oxy]-N-ethylethanamine?
The IUPAC name of 2-[(5-chloro-3-fluoro-2-pyridinyl)oxy]-N-ethylethanamine (CID 79734651) is 2-[(5-chloro-3-fluoro-2-pyridinyl)oxy]-N-ethylethanamine.
What is the SMILES notation for 2-[(5-chloro-3-fluoro-2-pyridinyl)oxy]-N-ethylethanamine?
The canonical SMILES for 2-[(5-chloro-3-fluoro-2-pyridinyl)oxy]-N-ethylethanamine is CCNCCOc1ncc(Cl)cc1F.
What is the InChIKey of 2-[(5-chloro-3-fluoro-2-pyridinyl)oxy]-N-ethylethanamine?
The InChIKey is XFMKDQGEPYWRDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClFN2O/c1-2-12-3-4-14-9-8(11)5-7(10)6-13-9/h5-6,12H,2-4H2,1H3.
What are the key properties of 2-[(5-chloro-3-fluoro-2-pyridinyl)oxy]-N-ethylethanamine?
2-[(5-chloro-3-fluoro-2-pyridinyl)oxy]-N-ethylethanamine has a molecular weight of 218.66 g/mol, XLogP of 1.86, 5 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)oxy]-N-ethylethanamine is sourced from PubChem (CID 79734651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).