4-[(2,4-difluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]-3-iodopyridin-2-one

C19H13F3INO2 — CID 11784699

IUPAC4-[(2,4-difluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]-3-iodopyridin-2-one
SMILESO=c1c(I)c(OCc2ccc(F)cc2F)ccn1Cc1cccc(F)c1
InChIInChI=1S/C19H13F3INO2/c20-14-3-1-2-12(8-14)10-24-7-6-17(18(23)19(24)25)26-11-13-4-5-15(21)9-16(13)22/h1-9H,10-11H2
InChIKeyIPYOKKYLHBAIJM-UHFFFAOYSA-N
MW471.22 g/mol
LogP4.50
Rot. Bonds5

About 4-[(2,4-difluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]-3-iodopyridin-2-one

4-[(2,4-difluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]-3-iodopyridin-2-one (PubChem CID 11784699) has the molecular formula C19H13F3INO2 and a molecular weight of 471.22 g/mol. Its IUPAC name is 4-[(2,4-difluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]-3-iodopyridin-2-one.

Molecular Properties

Compound Name4-[(2,4-difluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]-3-iodopyridin-2-one
PubChem CID11784699
Molecular FormulaC19H13F3INO2
Molecular Weight471.22 g/mol
Exact Mass470.99
IUPAC Name4-[(2,4-difluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]-3-iodopyridin-2-one
SMILESO=c1c(I)c(OCc2ccc(F)cc2F)ccn1Cc1cccc(F)c1
InChIInChI=1S/C19H13F3INO2/c20-14-3-1-2-12(8-14)10-24-7-6-17(18(23)19(24)25)26-11-13-4-5-15(21)9-16(13)22/h1-9H,10-11H2
InChIKeyIPYOKKYLHBAIJM-UHFFFAOYSA-N
XLogP4.50
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.22
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-difluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]-3-iodopyridin-2-one?
The IUPAC name of 4-[(2,4-difluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]-3-iodopyridin-2-one (CID 11784699) is 4-[(2,4-difluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]-3-iodopyridin-2-one.
What is the SMILES notation for 4-[(2,4-difluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]-3-iodopyridin-2-one?
The canonical SMILES for 4-[(2,4-difluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]-3-iodopyridin-2-one is O=c1c(I)c(OCc2ccc(F)cc2F)ccn1Cc1cccc(F)c1.
What is the InChIKey of 4-[(2,4-difluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]-3-iodopyridin-2-one?
The InChIKey is IPYOKKYLHBAIJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3INO2/c20-14-3-1-2-12(8-14)10-24-7-6-17(18(23)19(24)25)26-11-13-4-5-15(21)9-16(13)22/h1-9H,10-11H2.
What are the key properties of 4-[(2,4-difluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]-3-iodopyridin-2-one?
4-[(2,4-difluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]-3-iodopyridin-2-one has a molecular weight of 471.22 g/mol, XLogP of 4.50, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-difluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]-3-iodopyridin-2-one is sourced from PubChem (CID 11784699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).