3-bromo-6-(4-but-2-ynoxy-2-chlorophenyl)-1-ethylpyridin-2-one

C17H15BrClNO2 — CID 158306335

IUPAC3-bromo-6-(4-but-2-ynoxy-2-chlorophenyl)-1-ethylpyridin-2-one
SMILESCC#CCOc1ccc(-c2ccc(Br)c(=O)n2CC)c(Cl)c1
InChIInChI=1S/C17H15BrClNO2/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
InChIKeyDQLIBUTWHBMKRM-UHFFFAOYSA-N
MW380.67 g/mol
LogP4.35
Rot. Bonds4

About 3-bromo-6-(4-but-2-ynoxy-2-chlorophenyl)-1-ethylpyridin-2-one

3-bromo-6-(4-but-2-ynoxy-2-chlorophenyl)-1-ethylpyridin-2-one (PubChem CID 158306335) has the molecular formula C17H15BrClNO2 and a molecular weight of 380.67 g/mol. Its IUPAC name is 3-bromo-6-(4-but-2-ynoxy-2-chlorophenyl)-1-ethylpyridin-2-one.

Molecular Properties

Compound Name3-bromo-6-(4-but-2-ynoxy-2-chlorophenyl)-1-ethylpyridin-2-one
PubChem CID158306335
Molecular FormulaC17H15BrClNO2
Molecular Weight380.67 g/mol
Exact Mass379.00
IUPAC Name3-bromo-6-(4-but-2-ynoxy-2-chlorophenyl)-1-ethylpyridin-2-one
SMILESCC#CCOc1ccc(-c2ccc(Br)c(=O)n2CC)c(Cl)c1
InChIInChI=1S/C17H15BrClNO2/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
InChIKeyDQLIBUTWHBMKRM-UHFFFAOYSA-N
XLogP4.35
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.67
LogP ≤ 54.35
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

6-(4-but-2-ynoxy-2-fluorophenyl)-3-chloro-1-ethylpyridin-2-one
CID 149123787
3-bromo-6-(2-bromo-4-but-2-ynoxyphenyl)-1-(2,2-difluoroethyl)pyridin-2-one
CID 148869739
3-bromo-6-(4-but-2-ynoxy-2-chlorophenyl)-1-ethyl-3,4-dihydropyridin-2-one
CID 153451291
3-bromo-1-ethyl-6-[4-(2-methoxyethoxy)-2-methylphenyl]pyridin-2-one
CID 160746316
6-[2-chloro-4-(2-methoxyethoxy)phenyl]-1-ethyl-3-iodopyridin-2-one
CID 146946992
2-[4-(5-chloro-1-ethyl-6-oxo-2-pyridinyl)-3-methylphenoxy]acetonitrile
CID 159886636
5-bromo-2-(2-chloro-4-ethoxyphenyl)-1-ethyl-3H-pyridin-3-id-6-one;yttrium
CID 158259101
6-[2-bromo-4-(methylsulfanylmethoxy)phenyl]-1-ethyl-3-methylpyridin-2-one
CID 148519544
6-(2-chloro-4-prop-2-ynoxyphenyl)-1,3-dimethylpyridin-2-one
CID 158647541
2-(2-bromo-4-but-2-ynoxyphenyl)-5-iodo-1-methyl-3H-pyridin-3-id-6-one;yttrium
CID 159513357
2-(2-bromo-4-prop-2-ynoxyphenyl)-5-chloro-1-ethyl-3H-pyridin-3-id-6-one;yttrium
CID 158882413
3-bromo-6-(2-bromo-4-ethoxyphenyl)-1-(2,2-difluoroethyl)pyridin-2-one
CID 158124370

Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-(4-but-2-ynoxy-2-chlorophenyl)-1-ethylpyridin-2-one?
The IUPAC name of 3-bromo-6-(4-but-2-ynoxy-2-chlorophenyl)-1-ethylpyridin-2-one (CID 158306335) is 3-bromo-6-(4-but-2-ynoxy-2-chlorophenyl)-1-ethylpyridin-2-one.
What is the SMILES notation for 3-bromo-6-(4-but-2-ynoxy-2-chlorophenyl)-1-ethylpyridin-2-one?
The canonical SMILES for 3-bromo-6-(4-but-2-ynoxy-2-chlorophenyl)-1-ethylpyridin-2-one is CC#CCOc1ccc(-c2ccc(Br)c(=O)n2CC)c(Cl)c1.
What is the InChIKey of 3-bromo-6-(4-but-2-ynoxy-2-chlorophenyl)-1-ethylpyridin-2-one?
The InChIKey is DQLIBUTWHBMKRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrClNO2/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 3-bromo-6-(4-but-2-ynoxy-2-chlorophenyl)-1-ethylpyridin-2-one?
3-bromo-6-(4-but-2-ynoxy-2-chlorophenyl)-1-ethylpyridin-2-one has a molecular weight of 380.67 g/mol, XLogP of 4.35, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-(4-but-2-ynoxy-2-chlorophenyl)-1-ethylpyridin-2-one is sourced from PubChem (CID 158306335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).