6-(2-bromo-4-methoxyphenyl)-1-(2,2-difluoroethyl)-3-iodopyridin-2-one

C14H11BrF2INO2 — CID 159368712

IUPAC6-(2-bromo-4-methoxyphenyl)-1-(2,2-difluoroethyl)-3-iodopyridin-2-one
SMILESCOc1ccc(-c2ccc(I)c(=O)n2CC(F)F)c(Br)c1
InChIInChI=1S/C14H11BrF2INO2/c1-21-8-2-3-9(10(15)6-8)12-5-4-11(18)14(20)19(12)7-13(16)17/h2-6,13H,7H2,1H3
InChIKeyUTIXAPXHBJAURH-UHFFFAOYSA-N
MW470.05 g/mol
LogP4.16
Rot. Bonds4

About 6-(2-bromo-4-methoxyphenyl)-1-(2,2-difluoroethyl)-3-iodopyridin-2-one

6-(2-bromo-4-methoxyphenyl)-1-(2,2-difluoroethyl)-3-iodopyridin-2-one (PubChem CID 159368712) has the molecular formula C14H11BrF2INO2 and a molecular weight of 470.05 g/mol. Its IUPAC name is 6-(2-bromo-4-methoxyphenyl)-1-(2,2-difluoroethyl)-3-iodopyridin-2-one.

Molecular Properties

Compound Name6-(2-bromo-4-methoxyphenyl)-1-(2,2-difluoroethyl)-3-iodopyridin-2-one
PubChem CID159368712
Molecular FormulaC14H11BrF2INO2
Molecular Weight470.05 g/mol
Exact Mass468.90
IUPAC Name6-(2-bromo-4-methoxyphenyl)-1-(2,2-difluoroethyl)-3-iodopyridin-2-one
SMILESCOc1ccc(-c2ccc(I)c(=O)n2CC(F)F)c(Br)c1
InChIInChI=1S/C14H11BrF2INO2/c1-21-8-2-3-9(10(15)6-8)12-5-4-11(18)14(20)19(12)7-13(16)17/h2-6,13H,7H2,1H3
InChIKeyUTIXAPXHBJAURH-UHFFFAOYSA-N
XLogP4.16
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.05
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2,2-difluoroethyl)-6-(2,6-difluoro-4-methoxyphenyl)-3-iodopyridin-2-one
CID 160605392
3-bromo-6-(2-bromo-4-ethoxyphenyl)-1-(2,2-difluoroethyl)pyridin-2-one
CID 158124370
3-bromo-6-(2-bromo-4-but-2-ynoxyphenyl)-1-(2,2-difluoroethyl)pyridin-2-one
CID 148869739
3-bromo-1-(2,2-difluoroethyl)-6-[4-(methoxymethoxy)-2-methylphenyl]pyridin-2-one
CID 158395133
6-(4-bromo-2-fluorophenyl)-1-ethyl-3-iodopyridin-2-one
CID 153184355
6-[2-bromo-4-(methylsulfanylmethoxy)phenyl]-1-(2,2-difluoroethyl)pyridin-2-one
CID 160955775
6-(4-ethoxy-2-fluorophenyl)-1-ethyl-3-iodopyridin-2-one
CID 159941555
6-(2-bromo-4-methoxyphenyl)-1-ethylpyridin-2-one
CID 160728651
1-(2,2-difluoroethyl)-6-[4-(2-methoxyethoxy)-2-methylphenyl]-3-methylpyridin-2-one
CID 161221111
2-[2-bromo-4-(2-methoxyethoxy)phenyl]-1-(2,2-difluoroethyl)-5-methyl-3H-pyridin-3-id-6-one;yttrium
CID 160800626
3-chloro-1-(2,2-difluoroethyl)-6-[4-(2-methoxyethoxy)-2-methylphenyl]pyridin-2-one
CID 160891004
2-(2-bromo-4-hydroxyphenyl)-1-(2,2-difluoroethyl)-5-iodo-3H-pyridin-3-id-6-one;yttrium
CID 160607048

Frequently Asked Questions

What is the IUPAC name of 6-(2-bromo-4-methoxyphenyl)-1-(2,2-difluoroethyl)-3-iodopyridin-2-one?
The IUPAC name of 6-(2-bromo-4-methoxyphenyl)-1-(2,2-difluoroethyl)-3-iodopyridin-2-one (CID 159368712) is 6-(2-bromo-4-methoxyphenyl)-1-(2,2-difluoroethyl)-3-iodopyridin-2-one.
What is the SMILES notation for 6-(2-bromo-4-methoxyphenyl)-1-(2,2-difluoroethyl)-3-iodopyridin-2-one?
The canonical SMILES for 6-(2-bromo-4-methoxyphenyl)-1-(2,2-difluoroethyl)-3-iodopyridin-2-one is COc1ccc(-c2ccc(I)c(=O)n2CC(F)F)c(Br)c1.
What is the InChIKey of 6-(2-bromo-4-methoxyphenyl)-1-(2,2-difluoroethyl)-3-iodopyridin-2-one?
The InChIKey is UTIXAPXHBJAURH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrF2INO2/c1-21-8-2-3-9(10(15)6-8)12-5-4-11(18)14(20)19(12)7-13(16)17/h2-6,13H,7H2,1H3.
What are the key properties of 6-(2-bromo-4-methoxyphenyl)-1-(2,2-difluoroethyl)-3-iodopyridin-2-one?
6-(2-bromo-4-methoxyphenyl)-1-(2,2-difluoroethyl)-3-iodopyridin-2-one has a molecular weight of 470.05 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-bromo-4-methoxyphenyl)-1-(2,2-difluoroethyl)-3-iodopyridin-2-one is sourced from PubChem (CID 159368712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).