3-chloro-4-[(6-ethoxy-2-pyridinyl)oxy]aniline

C13H13ClN2O2 — CID 63589176

IUPAC3-chloro-4-[(6-ethoxy-2-pyridinyl)oxy]aniline
SMILESCCOc1cccc(Oc2ccc(N)cc2Cl)n1
InChIInChI=1S/C13H13ClN2O2/c1-2-17-12-4-3-5-13(16-12)18-11-7-6-9(15)8-10(11)14/h3-8H,2,15H2,1H3
InChIKeyXQVQNEDYDJJHOM-UHFFFAOYSA-N
MW264.71 g/mol
LogP3.51
Rot. Bonds4

About 3-chloro-4-[(6-ethoxy-2-pyridinyl)oxy]aniline

3-chloro-4-[(6-ethoxy-2-pyridinyl)oxy]aniline (PubChem CID 63589176) has the molecular formula C13H13ClN2O2 and a molecular weight of 264.71 g/mol. Its IUPAC name is 3-chloro-4-[(6-ethoxy-2-pyridinyl)oxy]aniline.

Molecular Properties

Compound Name3-chloro-4-[(6-ethoxy-2-pyridinyl)oxy]aniline
PubChem CID63589176
Molecular FormulaC13H13ClN2O2
Molecular Weight264.71 g/mol
Exact Mass264.07
IUPAC Name3-chloro-4-[(6-ethoxy-2-pyridinyl)oxy]aniline
SMILESCCOc1cccc(Oc2ccc(N)cc2Cl)n1
InChIInChI=1S/C13H13ClN2O2/c1-2-17-12-4-3-5-13(16-12)18-11-7-6-9(15)8-10(11)14/h3-8H,2,15H2,1H3
InChIKeyXQVQNEDYDJJHOM-UHFFFAOYSA-N
XLogP3.51
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.71
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[(6-ethoxy-2-pyridinyl)oxy]aniline?
The IUPAC name of 3-chloro-4-[(6-ethoxy-2-pyridinyl)oxy]aniline (CID 63589176) is 3-chloro-4-[(6-ethoxy-2-pyridinyl)oxy]aniline.
What is the SMILES notation for 3-chloro-4-[(6-ethoxy-2-pyridinyl)oxy]aniline?
The canonical SMILES for 3-chloro-4-[(6-ethoxy-2-pyridinyl)oxy]aniline is CCOc1cccc(Oc2ccc(N)cc2Cl)n1.
What is the InChIKey of 3-chloro-4-[(6-ethoxy-2-pyridinyl)oxy]aniline?
The InChIKey is XQVQNEDYDJJHOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2/c1-2-17-12-4-3-5-13(16-12)18-11-7-6-9(15)8-10(11)14/h3-8H,2,15H2,1H3.
What are the key properties of 3-chloro-4-[(6-ethoxy-2-pyridinyl)oxy]aniline?
3-chloro-4-[(6-ethoxy-2-pyridinyl)oxy]aniline has a molecular weight of 264.71 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[(6-ethoxy-2-pyridinyl)oxy]aniline is sourced from PubChem (CID 63589176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).