4-[(6-chloro-5-ethyl-3-pyridinyl)oxy]aniline

C13H13ClN2O — CID 20537920

IUPAC4-[(6-chloro-5-ethyl-3-pyridinyl)oxy]aniline
SMILESCCc1cc(Oc2ccc(N)cc2)cnc1Cl
InChIInChI=1S/C13H13ClN2O/c1-2-9-7-12(8-16-13(9)14)17-11-5-3-10(15)4-6-11/h3-8H,2,15H2,1H3
InChIKeyRDZMLRURFMGSCY-UHFFFAOYSA-N
MW248.71 g/mol
LogP3.67
Rot. Bonds3

About 4-[(6-chloro-5-ethyl-3-pyridinyl)oxy]aniline

4-[(6-chloro-5-ethyl-3-pyridinyl)oxy]aniline (PubChem CID 20537920) has the molecular formula C13H13ClN2O and a molecular weight of 248.71 g/mol. Its IUPAC name is 4-[(6-chloro-5-ethyl-3-pyridinyl)oxy]aniline.

Molecular Properties

Compound Name4-[(6-chloro-5-ethyl-3-pyridinyl)oxy]aniline
PubChem CID20537920
Molecular FormulaC13H13ClN2O
Molecular Weight248.71 g/mol
Exact Mass248.07
IUPAC Name4-[(6-chloro-5-ethyl-3-pyridinyl)oxy]aniline
SMILESCCc1cc(Oc2ccc(N)cc2)cnc1Cl
InChIInChI=1S/C13H13ClN2O/c1-2-9-7-12(8-16-13(9)14)17-11-5-3-10(15)4-6-11/h3-8H,2,15H2,1H3
InChIKeyRDZMLRURFMGSCY-UHFFFAOYSA-N
XLogP3.67
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.71
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(6-chloro-5-ethyl-3-pyridinyl)oxy]aniline?
The IUPAC name of 4-[(6-chloro-5-ethyl-3-pyridinyl)oxy]aniline (CID 20537920) is 4-[(6-chloro-5-ethyl-3-pyridinyl)oxy]aniline.
What is the SMILES notation for 4-[(6-chloro-5-ethyl-3-pyridinyl)oxy]aniline?
The canonical SMILES for 4-[(6-chloro-5-ethyl-3-pyridinyl)oxy]aniline is CCc1cc(Oc2ccc(N)cc2)cnc1Cl.
What is the InChIKey of 4-[(6-chloro-5-ethyl-3-pyridinyl)oxy]aniline?
The InChIKey is RDZMLRURFMGSCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O/c1-2-9-7-12(8-16-13(9)14)17-11-5-3-10(15)4-6-11/h3-8H,2,15H2,1H3.
What are the key properties of 4-[(6-chloro-5-ethyl-3-pyridinyl)oxy]aniline?
4-[(6-chloro-5-ethyl-3-pyridinyl)oxy]aniline has a molecular weight of 248.71 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-chloro-5-ethyl-3-pyridinyl)oxy]aniline is sourced from PubChem (CID 20537920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).