6-(4-bromophenyl)-1-ethyl-3-iodopyridin-2-one

C13H11BrINO — CID 162212561

IUPAC6-(4-bromophenyl)-1-ethyl-3-iodopyridin-2-one
SMILESCCn1c(-c2ccc(Br)cc2)ccc(I)c1=O
InChIInChI=1S/C13H11BrINO/c1-2-16-12(8-7-11(15)13(16)17)9-3-5-10(14)6-4-9/h3-8H,2H2,1H3
InChIKeyDQSWKOIPIJXUBB-UHFFFAOYSA-N
MW404.05 g/mol
LogP3.90
Rot. Bonds2

About 6-(4-bromophenyl)-1-ethyl-3-iodopyridin-2-one

6-(4-bromophenyl)-1-ethyl-3-iodopyridin-2-one (PubChem CID 162212561) has the molecular formula C13H11BrINO and a molecular weight of 404.05 g/mol. Its IUPAC name is 6-(4-bromophenyl)-1-ethyl-3-iodopyridin-2-one.

Molecular Properties

Compound Name6-(4-bromophenyl)-1-ethyl-3-iodopyridin-2-one
PubChem CID162212561
Molecular FormulaC13H11BrINO
Molecular Weight404.05 g/mol
Exact Mass402.91
IUPAC Name6-(4-bromophenyl)-1-ethyl-3-iodopyridin-2-one
SMILESCCn1c(-c2ccc(Br)cc2)ccc(I)c1=O
InChIInChI=1S/C13H11BrINO/c1-2-16-12(8-7-11(15)13(16)17)9-3-5-10(14)6-4-9/h3-8H,2H2,1H3
InChIKeyDQSWKOIPIJXUBB-UHFFFAOYSA-N
XLogP3.90
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.05
LogP ≤ 53.90
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

3-(aminomethyl)-6-(4-bromophenyl)-1-ethylpyridin-2-one
CID 82519188
6-(4-bromo-2-fluorophenyl)-1-ethyl-3-iodopyridin-2-one
CID 153184355
3-bromo-1-ethyl-6-[4-(methoxymethoxy)phenyl]pyridin-2-one
CID 161125403
3-[(4-bromophenyl)methyl]-1-ethyl-5-iodopyrimidine-2,4-dione
CID 79787597
6-(4-ethoxy-2-fluorophenyl)-1-ethyl-3-iodopyridin-2-one
CID 159941555
5-(4-bromophenyl)-2-chloro-1-ethylimidazole
CID 117260161
5-(4-bromophenyl)-1-ethylimidazol-2-amine
CID 6917234
2-[4-(1-ethyl-5-methyl-6-oxo-2-pyridinyl)phenoxy]acetonitrile
CID 158452584
2-[6-(4-ethoxyphenyl)-1-ethyl-2-oxo-3-pyridinyl]acetic acid
CID 82517930
1-ethyl-2-oxo-6-(4-propoxyphenyl)pyridine-3-carboxylic acid
CID 82517790
6-(4-hydroxyphenyl)-3-iodo-1-methylpyridin-2-one
CID 158566040
3-(1-aminoethyl)-1-ethyl-6-(4-propan-2-ylphenyl)pyridin-2-one
CID 82520425

Frequently Asked Questions

What is the IUPAC name of 6-(4-bromophenyl)-1-ethyl-3-iodopyridin-2-one?
The IUPAC name of 6-(4-bromophenyl)-1-ethyl-3-iodopyridin-2-one (CID 162212561) is 6-(4-bromophenyl)-1-ethyl-3-iodopyridin-2-one.
What is the SMILES notation for 6-(4-bromophenyl)-1-ethyl-3-iodopyridin-2-one?
The canonical SMILES for 6-(4-bromophenyl)-1-ethyl-3-iodopyridin-2-one is CCn1c(-c2ccc(Br)cc2)ccc(I)c1=O.
What is the InChIKey of 6-(4-bromophenyl)-1-ethyl-3-iodopyridin-2-one?
The InChIKey is DQSWKOIPIJXUBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrINO/c1-2-16-12(8-7-11(15)13(16)17)9-3-5-10(14)6-4-9/h3-8H,2H2,1H3.
What are the key properties of 6-(4-bromophenyl)-1-ethyl-3-iodopyridin-2-one?
6-(4-bromophenyl)-1-ethyl-3-iodopyridin-2-one has a molecular weight of 404.05 g/mol, XLogP of 3.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromophenyl)-1-ethyl-3-iodopyridin-2-one is sourced from PubChem (CID 162212561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).