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

C15H10ClFN4O2 — CID 12923252

IUPAC1-(4-chlorophenyl)-2-[(6-fluoro-2-pyridinyl)oxy]-2-(1,2,4-triazol-1-yl)ethanone
SMILESO=C(c1ccc(Cl)cc1)C(Oc1cccc(F)n1)n1cncn1
InChIInChI=1S/C15H10ClFN4O2/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
InChIKeyLJNZJTCUAWHHNV-UHFFFAOYSA-N
MW332.72 g/mol
LogP2.93
Rot. Bonds5

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

1-(4-chlorophenyl)-2-[(6-fluoro-2-pyridinyl)oxy]-2-(1,2,4-triazol-1-yl)ethanone (PubChem CID 12923252) has the molecular formula C15H10ClFN4O2 and a molecular weight of 332.72 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-[(6-fluoro-2-pyridinyl)oxy]-2-(1,2,4-triazol-1-yl)ethanone.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-[(6-fluoro-2-pyridinyl)oxy]-2-(1,2,4-triazol-1-yl)ethanone
PubChem CID12923252
Molecular FormulaC15H10ClFN4O2
Molecular Weight332.72 g/mol
Exact Mass332.05
IUPAC Name1-(4-chlorophenyl)-2-[(6-fluoro-2-pyridinyl)oxy]-2-(1,2,4-triazol-1-yl)ethanone
SMILESO=C(c1ccc(Cl)cc1)C(Oc1cccc(F)n1)n1cncn1
InChIInChI=1S/C15H10ClFN4O2/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
InChIKeyLJNZJTCUAWHHNV-UHFFFAOYSA-N
XLogP2.93
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.72
LogP ≤ 52.93
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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Related Compounds

1-[(6-Chloro-2-pyridinyl)oxy]-4-fluoro-3-(fluoromethyl)-3-methyl-1-(1,2,4-triazol-1-yl)butan-2-one
CID 12806814
1-[(6-Chloro-2-pyridinyl)oxy]-4-fluoro-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-one
CID 20473293
1-Phenyl-2-(1,2,4-triazol-1-yl)-2-[4-[5-(trifluoromethyl)pyridin-2-yl]oxyphenoxy]ethanone
CID 70595249
1-[6-(4-Chlorophenoxy)-4-(trifluoromethyl)pyridin-3-yl]-2-(1,2,4-triazol-1-yl)ethanone
CID 126601371
1-[6-(4-Chlorophenoxy)-2-(trifluoromethyl)pyridin-3-yl]-2-(1,2,4-triazol-1-yl)ethanone
CID 126601519
1-[6-(4-Chlorophenoxy)-4-(1,1-difluoroethyl)-3-pyridinyl]-2-(1,2,4-triazol-1-yl)ethanone
CID 147574282
1-[5-(4-Chloro-3-fluorophenyl)-2-ethyl-1,2,4-triazol-3-yl]-4-(6-methoxy-3-pyridinyl)butan-2-one
CID 161792608
[1-(4-Chlorophenyl)-2-(1,2,4-triazol-1-yl)ethyl] 6-(2,2,2-trifluoroethoxy)pyridine-3-carboxylate
CID 60523249
(2S)-1-(4-chlorophenyl)-2-[(6-fluoro-2-pyridinyl)oxy]-2-(1,2,4-triazol-1-yl)ethanone
CID 124416505
(2R)-1-(4-chlorophenyl)-2-[(6-fluoro-2-pyridinyl)oxy]-2-(1,2,4-triazol-1-yl)ethanone
CID 124416506
1-(4-Chlorophenyl)-2-[(7-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-5-yl)oxy]ethanone
CID 2801056
1-(6-Chloropyridin-2-yl-oxy)-2-(4-chlorophenyl)-1-(1,2,4-triazol-1-yl)-ethan-2-one
CID 12923248

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-[(6-fluoro-2-pyridinyl)oxy]-2-(1,2,4-triazol-1-yl)ethanone?
The IUPAC name of 1-(4-chlorophenyl)-2-[(6-fluoro-2-pyridinyl)oxy]-2-(1,2,4-triazol-1-yl)ethanone (CID 12923252) is 1-(4-chlorophenyl)-2-[(6-fluoro-2-pyridinyl)oxy]-2-(1,2,4-triazol-1-yl)ethanone.
What is the SMILES notation for 1-(4-chlorophenyl)-2-[(6-fluoro-2-pyridinyl)oxy]-2-(1,2,4-triazol-1-yl)ethanone?
The canonical SMILES for 1-(4-chlorophenyl)-2-[(6-fluoro-2-pyridinyl)oxy]-2-(1,2,4-triazol-1-yl)ethanone is O=C(c1ccc(Cl)cc1)C(Oc1cccc(F)n1)n1cncn1.
What is the InChIKey of 1-(4-chlorophenyl)-2-[(6-fluoro-2-pyridinyl)oxy]-2-(1,2,4-triazol-1-yl)ethanone?
The InChIKey is LJNZJTCUAWHHNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClFN4O2/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-fluoro-2-pyridinyl)oxy]-2-(1,2,4-triazol-1-yl)ethanone?
1-(4-chlorophenyl)-2-[(6-fluoro-2-pyridinyl)oxy]-2-(1,2,4-triazol-1-yl)ethanone has a molecular weight of 332.72 g/mol, XLogP of 2.93, 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-fluoro-2-pyridinyl)oxy]-2-(1,2,4-triazol-1-yl)ethanone is sourced from PubChem (CID 12923252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).