6-(4-but-2-ynoxy-2-fluorophenyl)-3-chloro-1-ethylpyridin-2-one

C17H15ClFNO2 — CID 149123787

IUPAC6-(4-but-2-ynoxy-2-fluorophenyl)-3-chloro-1-ethylpyridin-2-one
SMILESCC#CCOc1ccc(-c2ccc(Cl)c(=O)n2CC)c(F)c1
InChIInChI=1S/C17H15ClFNO2/c1-3-5-10-22-12-6-7-13(15(19)11-12)16-9-8-14(18)17(21)20(16)4-2/h6-9,11H,4,10H2,1-2H3
InChIKeyDNXVJWCLVWNQRG-UHFFFAOYSA-N
MW319.76 g/mol
LogP3.73
Rot. Bonds4

About 6-(4-but-2-ynoxy-2-fluorophenyl)-3-chloro-1-ethylpyridin-2-one

6-(4-but-2-ynoxy-2-fluorophenyl)-3-chloro-1-ethylpyridin-2-one (PubChem CID 149123787) has the molecular formula C17H15ClFNO2 and a molecular weight of 319.76 g/mol. Its IUPAC name is 6-(4-but-2-ynoxy-2-fluorophenyl)-3-chloro-1-ethylpyridin-2-one.

Molecular Properties

Compound Name6-(4-but-2-ynoxy-2-fluorophenyl)-3-chloro-1-ethylpyridin-2-one
PubChem CID149123787
Molecular FormulaC17H15ClFNO2
Molecular Weight319.76 g/mol
Exact Mass319.08
IUPAC Name6-(4-but-2-ynoxy-2-fluorophenyl)-3-chloro-1-ethylpyridin-2-one
SMILESCC#CCOc1ccc(-c2ccc(Cl)c(=O)n2CC)c(F)c1
InChIInChI=1S/C17H15ClFNO2/c1-3-5-10-22-12-6-7-13(15(19)11-12)16-9-8-14(18)17(21)20(16)4-2/h6-9,11H,4,10H2,1-2H3
InChIKeyDNXVJWCLVWNQRG-UHFFFAOYSA-N
XLogP3.73
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.76
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-6-(4-but-2-ynoxy-2-chlorophenyl)-1-ethylpyridin-2-one
CID 158306335
2-[4-(5-chloro-1-ethyl-6-oxo-2-pyridinyl)-3-methylphenoxy]acetonitrile
CID 159886636
6-(4-ethoxy-2-fluorophenyl)-1-ethyl-3-iodopyridin-2-one
CID 159941555
3-bromo-6-(2-bromo-4-but-2-ynoxyphenyl)-1-(2,2-difluoroethyl)pyridin-2-one
CID 148869739
6-(4-but-2-ynoxy-2-chlorophenyl)-1-(2,2-difluoroethyl)-3,4-dihydropyridin-2-one
CID 153450943
3-chloro-1-(2,2-difluoroethyl)-6-[4-(2-methoxyethoxy)-2-methylphenyl]pyridin-2-one
CID 160891004
6-(4-but-2-ynoxy-2-fluorophenyl)-1-(2,2-difluoroethyl)-3-iodo-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium
CID 153451949
6-(4-but-2-ynoxy-2-fluorophenyl)-1-(2,2-difluoroethyl)-3-methyl-3,4-dihydropyridin-2-one
CID 153451135
1-but-2-ynoxy-4-chlorobenzene
CID 64765646
6-(2,6-difluoro-4-prop-2-ynoxyphenyl)-1-ethyl-3-methylpyridin-2-one
CID 153055474
2-(4-but-2-ynoxy-2-methylphenyl)-1-(2,2-difluoroethyl)-5-iodo-3H-pyridin-3-id-6-one;yttrium
CID 159380388
3-bromo-6-(4-but-2-ynoxy-2-chlorophenyl)-1-ethyl-3,4-dihydropyridin-2-one
CID 153451291

Frequently Asked Questions

What is the IUPAC name of 6-(4-but-2-ynoxy-2-fluorophenyl)-3-chloro-1-ethylpyridin-2-one?
The IUPAC name of 6-(4-but-2-ynoxy-2-fluorophenyl)-3-chloro-1-ethylpyridin-2-one (CID 149123787) is 6-(4-but-2-ynoxy-2-fluorophenyl)-3-chloro-1-ethylpyridin-2-one.
What is the SMILES notation for 6-(4-but-2-ynoxy-2-fluorophenyl)-3-chloro-1-ethylpyridin-2-one?
The canonical SMILES for 6-(4-but-2-ynoxy-2-fluorophenyl)-3-chloro-1-ethylpyridin-2-one is CC#CCOc1ccc(-c2ccc(Cl)c(=O)n2CC)c(F)c1.
What is the InChIKey of 6-(4-but-2-ynoxy-2-fluorophenyl)-3-chloro-1-ethylpyridin-2-one?
The InChIKey is DNXVJWCLVWNQRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFNO2/c1-3-5-10-22-12-6-7-13(15(19)11-12)16-9-8-14(18)17(21)20(16)4-2/h6-9,11H,4,10H2,1-2H3.
What are the key properties of 6-(4-but-2-ynoxy-2-fluorophenyl)-3-chloro-1-ethylpyridin-2-one?
6-(4-but-2-ynoxy-2-fluorophenyl)-3-chloro-1-ethylpyridin-2-one has a molecular weight of 319.76 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-but-2-ynoxy-2-fluorophenyl)-3-chloro-1-ethylpyridin-2-one is sourced from PubChem (CID 149123787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).