6-(4-bromo-2-fluorophenyl)-1-ethyl-3-iodopyridin-2-one

C13H10BrFINO — CID 153184355

IUPAC6-(4-bromo-2-fluorophenyl)-1-ethyl-3-iodopyridin-2-one
SMILESCCn1c(-c2ccc(Br)cc2F)ccc(I)c1=O
InChIInChI=1S/C13H10BrFINO/c1-2-17-12(6-5-11(16)13(17)18)9-4-3-8(14)7-10(9)15/h3-7H,2H2,1H3
InChIKeyDNMXNCBLJXEOBF-UHFFFAOYSA-N
MW422.04 g/mol
LogP4.04
Rot. Bonds2

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

6-(4-bromo-2-fluorophenyl)-1-ethyl-3-iodopyridin-2-one (PubChem CID 153184355) has the molecular formula C13H10BrFINO and a molecular weight of 422.04 g/mol. Its IUPAC name is 6-(4-bromo-2-fluorophenyl)-1-ethyl-3-iodopyridin-2-one.

Molecular Properties

Compound Name6-(4-bromo-2-fluorophenyl)-1-ethyl-3-iodopyridin-2-one
PubChem CID153184355
Molecular FormulaC13H10BrFINO
Molecular Weight422.04 g/mol
Exact Mass420.90
IUPAC Name6-(4-bromo-2-fluorophenyl)-1-ethyl-3-iodopyridin-2-one
SMILESCCn1c(-c2ccc(Br)cc2F)ccc(I)c1=O
InChIInChI=1S/C13H10BrFINO/c1-2-17-12(6-5-11(16)13(17)18)9-4-3-8(14)7-10(9)15/h3-7H,2H2,1H3
InChIKeyDNMXNCBLJXEOBF-UHFFFAOYSA-N
XLogP4.04
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.04
LogP ≤ 54.04
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-ethoxy-2-fluorophenyl)-1-ethyl-3-iodopyridin-2-one
CID 159941555
6-(4-bromophenyl)-1-ethyl-3-iodopyridin-2-one
CID 162212561
6-(2-bromo-4-methoxyphenyl)-1-(2,2-difluoroethyl)-3-iodopyridin-2-one
CID 159368712
2-[4-(1-ethyl-5-iodo-6-oxo-2-pyridinyl)-3,5-difluorophenoxy]acetonitrile
CID 159149420
5-(4-bromo-2-fluorophenyl)-4-ethyl-1,2,4-triazole-3-sulfonamide
CID 113366378
5-(4-bromo-2-fluorophenyl)-3-ethyl-2-methylimidazol-4-amine
CID 55048064
1-(2,2-difluoroethyl)-6-(2,6-difluoro-4-methoxyphenyl)-3-iodopyridin-2-one
CID 160605392
5-(4-chloro-2-fluorophenyl)-1-ethylpyrrole-2-carboxylic acid
CID 43671806
1-[4-(4-bromo-2-fluorophenyl)phenyl]propan-1-one
CID 822002
3-(aminomethyl)-6-(4-bromophenyl)-1-ethylpyridin-2-one
CID 82519188
6-[2-bromo-4-(methylsulfanylmethoxy)phenyl]-1-ethyl-3-methylpyridin-2-one
CID 148519544
3-[(5-bromo-2-fluorophenyl)methyl]-5-iodo-2-methylpyrimidin-4-one
CID 66340919

Frequently Asked Questions

What is the IUPAC name of 6-(4-bromo-2-fluorophenyl)-1-ethyl-3-iodopyridin-2-one?
The IUPAC name of 6-(4-bromo-2-fluorophenyl)-1-ethyl-3-iodopyridin-2-one (CID 153184355) is 6-(4-bromo-2-fluorophenyl)-1-ethyl-3-iodopyridin-2-one.
What is the SMILES notation for 6-(4-bromo-2-fluorophenyl)-1-ethyl-3-iodopyridin-2-one?
The canonical SMILES for 6-(4-bromo-2-fluorophenyl)-1-ethyl-3-iodopyridin-2-one is CCn1c(-c2ccc(Br)cc2F)ccc(I)c1=O.
What is the InChIKey of 6-(4-bromo-2-fluorophenyl)-1-ethyl-3-iodopyridin-2-one?
The InChIKey is DNMXNCBLJXEOBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrFINO/c1-2-17-12(6-5-11(16)13(17)18)9-4-3-8(14)7-10(9)15/h3-7H,2H2,1H3.
What are the key properties of 6-(4-bromo-2-fluorophenyl)-1-ethyl-3-iodopyridin-2-one?
6-(4-bromo-2-fluorophenyl)-1-ethyl-3-iodopyridin-2-one has a molecular weight of 422.04 g/mol, XLogP of 4.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromo-2-fluorophenyl)-1-ethyl-3-iodopyridin-2-one is sourced from PubChem (CID 153184355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).