2-[(2-chloro-4-pyridinyl)oxy]ethanamine

C7H9ClN2O — CID 84654514

IUPAC2-[(2-chloro-4-pyridinyl)oxy]ethanamine
SMILESNCCOc1ccnc(Cl)c1
InChIInChI=1S/C7H9ClN2O/c8-7-5-6(1-3-10-7)11-4-2-9/h1,3,5H,2,4,9H2
InChIKeyZAPLPUKOABLHCN-UHFFFAOYSA-N
MW172.62 g/mol
LogP1.07
Rot. Bonds3

About 2-[(2-chloro-4-pyridinyl)oxy]ethanamine

2-[(2-chloro-4-pyridinyl)oxy]ethanamine (PubChem CID 84654514) has the molecular formula C7H9ClN2O and a molecular weight of 172.62 g/mol. Its IUPAC name is 2-[(2-chloro-4-pyridinyl)oxy]ethanamine.

Molecular Properties

Compound Name2-[(2-chloro-4-pyridinyl)oxy]ethanamine
PubChem CID84654514
Molecular FormulaC7H9ClN2O
Molecular Weight172.62 g/mol
Exact Mass172.04
IUPAC Name2-[(2-chloro-4-pyridinyl)oxy]ethanamine
SMILESNCCOc1ccnc(Cl)c1
InChIInChI=1S/C7H9ClN2O/c8-7-5-6(1-3-10-7)11-4-2-9/h1,3,5H,2,4,9H2
InChIKeyZAPLPUKOABLHCN-UHFFFAOYSA-N
XLogP1.07
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.62
LogP ≤ 51.07
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-[(2-chloro-4-pyridinyl)oxy]ethanamine?
The IUPAC name of 2-[(2-chloro-4-pyridinyl)oxy]ethanamine (CID 84654514) is 2-[(2-chloro-4-pyridinyl)oxy]ethanamine.
What is the SMILES notation for 2-[(2-chloro-4-pyridinyl)oxy]ethanamine?
The canonical SMILES for 2-[(2-chloro-4-pyridinyl)oxy]ethanamine is NCCOc1ccnc(Cl)c1.
What is the InChIKey of 2-[(2-chloro-4-pyridinyl)oxy]ethanamine?
The InChIKey is ZAPLPUKOABLHCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2O/c8-7-5-6(1-3-10-7)11-4-2-9/h1,3,5H,2,4,9H2.
What are the key properties of 2-[(2-chloro-4-pyridinyl)oxy]ethanamine?
2-[(2-chloro-4-pyridinyl)oxy]ethanamine has a molecular weight of 172.62 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-4-pyridinyl)oxy]ethanamine is sourced from PubChem (CID 84654514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).