6-(2-chloro-4-prop-2-ynoxyphenyl)-1,3-dimethylpyridin-2-one

C16H14ClNO2 — CID 158647541

IUPAC6-(2-chloro-4-prop-2-ynoxyphenyl)-1,3-dimethylpyridin-2-one
SMILESC#CCOc1ccc(-c2ccc(C)c(=O)n2C)c(Cl)c1
InChIInChI=1S/C16H14ClNO2/c1-4-9-20-12-6-7-13(14(17)10-12)15-8-5-11(2)16(19)18(15)3/h1,5-8,10H,9H2,2-3H3
InChIKeyDEWNVIBOLCGVTD-UHFFFAOYSA-N
MW287.75 g/mol
LogP3.03
Rot. Bonds3

About 6-(2-chloro-4-prop-2-ynoxyphenyl)-1,3-dimethylpyridin-2-one

6-(2-chloro-4-prop-2-ynoxyphenyl)-1,3-dimethylpyridin-2-one (PubChem CID 158647541) has the molecular formula C16H14ClNO2 and a molecular weight of 287.75 g/mol. Its IUPAC name is 6-(2-chloro-4-prop-2-ynoxyphenyl)-1,3-dimethylpyridin-2-one.

Molecular Properties

Compound Name6-(2-chloro-4-prop-2-ynoxyphenyl)-1,3-dimethylpyridin-2-one
PubChem CID158647541
Molecular FormulaC16H14ClNO2
Molecular Weight287.75 g/mol
Exact Mass287.07
IUPAC Name6-(2-chloro-4-prop-2-ynoxyphenyl)-1,3-dimethylpyridin-2-one
SMILESC#CCOc1ccc(-c2ccc(C)c(=O)n2C)c(Cl)c1
InChIInChI=1S/C16H14ClNO2/c1-4-9-20-12-6-7-13(14(17)10-12)15-8-5-11(2)16(19)18(15)3/h1,5-8,10H,9H2,2-3H3
InChIKeyDEWNVIBOLCGVTD-UHFFFAOYSA-N
XLogP3.03
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 53.03
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

1-methyl-2-(2-methyl-4-prop-2-ynoxyphenyl)-3H-pyridin-3-id-6-one;yttrium
CID 146982885
3-chloro-6-[4-(methoxymethoxy)-2-methylphenyl]-1-methylpyridin-2-one
CID 159666606
2-[4-(5-bromo-1-methyl-6-oxo-2-pyridinyl)-3-methylphenoxy]acetonitrile
CID 160578621
6-(4-methoxy-2-methylphenyl)-1,3-dimethylpyridin-2-one
CID 159172833
6-(2,6-difluoro-4-prop-2-ynoxyphenyl)-1-ethyl-3-methylpyridin-2-one
CID 153055474
6-(2-chloro-4-prop-2-ynoxyphenyl)-1-ethyl-3-methyl-4,5-dihydro-3H-pyridin-5-id-2-one;yttrium
CID 153450648
6-(2-chloro-4-prop-2-enoxyphenyl)-1-methylpyridin-2-one
CID 159691735
2-bromo-1-methyl-4-prop-2-ynoxybenzene
CID 131137666
3-bromo-6-(4-but-2-ynoxy-2-chlorophenyl)-1-ethylpyridin-2-one
CID 158306335
2-[3-chloro-4-(5-chloro-1-methyl-6-oxo-3H-pyridin-3-id-2-yl)phenoxy]acetonitrile;yttrium
CID 161194488
2-[4-(5-chloro-1-ethyl-6-oxo-2-pyridinyl)-3-methylphenoxy]acetonitrile
CID 159886636
2-(2-bromo-4-prop-2-ynoxyphenyl)-5-chloro-1-ethyl-3H-pyridin-3-id-6-one;yttrium
CID 158882413

Frequently Asked Questions

What is the IUPAC name of 6-(2-chloro-4-prop-2-ynoxyphenyl)-1,3-dimethylpyridin-2-one?
The IUPAC name of 6-(2-chloro-4-prop-2-ynoxyphenyl)-1,3-dimethylpyridin-2-one (CID 158647541) is 6-(2-chloro-4-prop-2-ynoxyphenyl)-1,3-dimethylpyridin-2-one.
What is the SMILES notation for 6-(2-chloro-4-prop-2-ynoxyphenyl)-1,3-dimethylpyridin-2-one?
The canonical SMILES for 6-(2-chloro-4-prop-2-ynoxyphenyl)-1,3-dimethylpyridin-2-one is C#CCOc1ccc(-c2ccc(C)c(=O)n2C)c(Cl)c1.
What is the InChIKey of 6-(2-chloro-4-prop-2-ynoxyphenyl)-1,3-dimethylpyridin-2-one?
The InChIKey is DEWNVIBOLCGVTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO2/c1-4-9-20-12-6-7-13(14(17)10-12)15-8-5-11(2)16(19)18(15)3/h1,5-8,10H,9H2,2-3H3.
What are the key properties of 6-(2-chloro-4-prop-2-ynoxyphenyl)-1,3-dimethylpyridin-2-one?
6-(2-chloro-4-prop-2-ynoxyphenyl)-1,3-dimethylpyridin-2-one has a molecular weight of 287.75 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chloro-4-prop-2-ynoxyphenyl)-1,3-dimethylpyridin-2-one is sourced from PubChem (CID 158647541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).