1-(4-chlorophenyl)-2-[(6-chloro-2-pyridinyl)oxy]-2-(1,2,4-triazol-1-yl)ethanone

C15H10Cl2N4O2 — CID 12923248

IUPAC1-(4-chlorophenyl)-2-[(6-chloro-2-pyridinyl)oxy]-2-(1,2,4-triazol-1-yl)ethanone
SMILESO=C(c1ccc(Cl)cc1)C(Oc1cccc(Cl)n1)n1cncn1
InChIInChI=1S/C15H10Cl2N4O2/c16-11-6-4-10(5-7-11)14(22)15(21-9-18-8-19-21)23-13-3-1-2-12(17)20-13/h1-9,15H
InChIKeyMRHXHPZRGOEMTK-UHFFFAOYSA-N
MW349.18 g/mol
LogP3.44
Rot. Bonds5

About 1-(4-chlorophenyl)-2-[(6-chloro-2-pyridinyl)oxy]-2-(1,2,4-triazol-1-yl)ethanone

1-(4-chlorophenyl)-2-[(6-chloro-2-pyridinyl)oxy]-2-(1,2,4-triazol-1-yl)ethanone (PubChem CID 12923248) has the molecular formula C15H10Cl2N4O2 and a molecular weight of 349.18 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-[(6-chloro-2-pyridinyl)oxy]-2-(1,2,4-triazol-1-yl)ethanone.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-[(6-chloro-2-pyridinyl)oxy]-2-(1,2,4-triazol-1-yl)ethanone
PubChem CID12923248
Molecular FormulaC15H10Cl2N4O2
Molecular Weight349.18 g/mol
Exact Mass348.02
IUPAC Name1-(4-chlorophenyl)-2-[(6-chloro-2-pyridinyl)oxy]-2-(1,2,4-triazol-1-yl)ethanone
SMILESO=C(c1ccc(Cl)cc1)C(Oc1cccc(Cl)n1)n1cncn1
InChIInChI=1S/C15H10Cl2N4O2/c16-11-6-4-10(5-7-11)14(22)15(21-9-18-8-19-21)23-13-3-1-2-12(17)20-13/h1-9,15H
InChIKeyMRHXHPZRGOEMTK-UHFFFAOYSA-N
XLogP3.44
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.18
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 1-(4-chlorophenyl)-2-[(6-chloro-2-pyridinyl)oxy]-2-(1,2,4-triazol-1-yl)ethanone?
The IUPAC name of 1-(4-chlorophenyl)-2-[(6-chloro-2-pyridinyl)oxy]-2-(1,2,4-triazol-1-yl)ethanone (CID 12923248) is 1-(4-chlorophenyl)-2-[(6-chloro-2-pyridinyl)oxy]-2-(1,2,4-triazol-1-yl)ethanone.
What is the SMILES notation for 1-(4-chlorophenyl)-2-[(6-chloro-2-pyridinyl)oxy]-2-(1,2,4-triazol-1-yl)ethanone?
The canonical SMILES for 1-(4-chlorophenyl)-2-[(6-chloro-2-pyridinyl)oxy]-2-(1,2,4-triazol-1-yl)ethanone is O=C(c1ccc(Cl)cc1)C(Oc1cccc(Cl)n1)n1cncn1.
What is the InChIKey of 1-(4-chlorophenyl)-2-[(6-chloro-2-pyridinyl)oxy]-2-(1,2,4-triazol-1-yl)ethanone?
The InChIKey is MRHXHPZRGOEMTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N4O2/c16-11-6-4-10(5-7-11)14(22)15(21-9-18-8-19-21)23-13-3-1-2-12(17)20-13/h1-9,15H.
What are the key properties of 1-(4-chlorophenyl)-2-[(6-chloro-2-pyridinyl)oxy]-2-(1,2,4-triazol-1-yl)ethanone?
1-(4-chlorophenyl)-2-[(6-chloro-2-pyridinyl)oxy]-2-(1,2,4-triazol-1-yl)ethanone has a molecular weight of 349.18 g/mol, XLogP of 3.44, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-[(6-chloro-2-pyridinyl)oxy]-2-(1,2,4-triazol-1-yl)ethanone is sourced from PubChem (CID 12923248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).