6-(2-ethylphenyl)-3-iodo-1-methylpyridin-2-one

C14H14INO — CID 161080139

IUPAC6-(2-ethylphenyl)-3-iodo-1-methylpyridin-2-one
SMILESCCc1ccccc1-c1ccc(I)c(=O)n1C
InChIInChI=1S/C14H14INO/c1-3-10-6-4-5-7-11(10)13-9-8-12(15)14(17)16(13)2/h4-9H,3H2,1-2H3
InChIKeyLJBNFEMSJCANKW-UHFFFAOYSA-N
MW339.18 g/mol
LogP3.22
Rot. Bonds2

About 6-(2-ethylphenyl)-3-iodo-1-methylpyridin-2-one

6-(2-ethylphenyl)-3-iodo-1-methylpyridin-2-one (PubChem CID 161080139) has the molecular formula C14H14INO and a molecular weight of 339.18 g/mol. Its IUPAC name is 6-(2-ethylphenyl)-3-iodo-1-methylpyridin-2-one.

Molecular Properties

Compound Name6-(2-ethylphenyl)-3-iodo-1-methylpyridin-2-one
PubChem CID161080139
Molecular FormulaC14H14INO
Molecular Weight339.18 g/mol
Exact Mass339.01
IUPAC Name6-(2-ethylphenyl)-3-iodo-1-methylpyridin-2-one
SMILESCCc1ccccc1-c1ccc(I)c(=O)n1C
InChIInChI=1S/C14H14INO/c1-3-10-6-4-5-7-11(10)13-9-8-12(15)14(17)16(13)2/h4-9H,3H2,1-2H3
InChIKeyLJBNFEMSJCANKW-UHFFFAOYSA-N
XLogP3.22
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.18
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-(4-hydroxyphenyl)-3-iodo-1-methylpyridin-2-one
CID 158566040
1-ethyl-6-(2-ethylphenyl)pyridin-2-one
CID 159464273
3-(chloromethyl)-1-methyl-6-(2-propoxyphenyl)pyridin-2-one
CID 82518755
5-(2-ethylphenyl)-1-phenylimidazole
CID 160833005
3-amino-1-methyl-6-(2-methylphenyl)pyridin-2-one
CID 105467818
4-(2-ethylphenyl)-2-methyl-1-oxoisoquinoline-3-carboxylic acid
CID 22403262
5-(2-ethylphenyl)-3-methyl-1,3,4-oxadiazol-2-one
CID 141330846
6-(2-ethoxyphenyl)-1-methyl-2-oxopyridine-3-carboxylic acid
CID 82518873
6-(2-ethylphenyl)-3-iodo-1-methyl-3,4-dihydropyridin-2-one
CID 153451756
1,2-diethylbenzene;hydrobromide
CID 174973685
1-methyl-3-(methylaminomethyl)-6-(2-propan-2-yloxyphenyl)pyridin-2-one
CID 82518697
3-iodo-1-methyl-6-(trifluoromethyl)pyridin-2-one
CID 166486551

Frequently Asked Questions

What is the IUPAC name of 6-(2-ethylphenyl)-3-iodo-1-methylpyridin-2-one?
The IUPAC name of 6-(2-ethylphenyl)-3-iodo-1-methylpyridin-2-one (CID 161080139) is 6-(2-ethylphenyl)-3-iodo-1-methylpyridin-2-one.
What is the SMILES notation for 6-(2-ethylphenyl)-3-iodo-1-methylpyridin-2-one?
The canonical SMILES for 6-(2-ethylphenyl)-3-iodo-1-methylpyridin-2-one is CCc1ccccc1-c1ccc(I)c(=O)n1C.
What is the InChIKey of 6-(2-ethylphenyl)-3-iodo-1-methylpyridin-2-one?
The InChIKey is LJBNFEMSJCANKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14INO/c1-3-10-6-4-5-7-11(10)13-9-8-12(15)14(17)16(13)2/h4-9H,3H2,1-2H3.
What are the key properties of 6-(2-ethylphenyl)-3-iodo-1-methylpyridin-2-one?
6-(2-ethylphenyl)-3-iodo-1-methylpyridin-2-one has a molecular weight of 339.18 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethylphenyl)-3-iodo-1-methylpyridin-2-one is sourced from PubChem (CID 161080139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).