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

C19H14F2INO2 — CID 10151590

IUPAC4-[(4-fluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]-3-iodopyridin-2-one
SMILESO=c1c(I)c(OCc2ccc(F)cc2)ccn1Cc1cccc(F)c1
InChIInChI=1S/C19H14F2INO2/c20-15-6-4-13(5-7-15)12-25-17-8-9-23(19(24)18(17)22)11-14-2-1-3-16(21)10-14/h1-10H,11-12H2
InChIKeyHVGIKLCOPMGNEN-UHFFFAOYSA-N
MW453.23 g/mol
LogP4.36
Rot. Bonds5

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

4-[(4-fluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]-3-iodopyridin-2-one (PubChem CID 10151590) has the molecular formula C19H14F2INO2 and a molecular weight of 453.23 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]-3-iodopyridin-2-one.

Molecular Properties

Compound Name4-[(4-fluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]-3-iodopyridin-2-one
PubChem CID10151590
Molecular FormulaC19H14F2INO2
Molecular Weight453.23 g/mol
Exact Mass453.00
IUPAC Name4-[(4-fluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]-3-iodopyridin-2-one
SMILESO=c1c(I)c(OCc2ccc(F)cc2)ccn1Cc1cccc(F)c1
InChIInChI=1S/C19H14F2INO2/c20-15-6-4-13(5-7-15)12-25-17-8-9-23(19(24)18(17)22)11-14-2-1-3-16(21)10-14/h1-10H,11-12H2
InChIKeyHVGIKLCOPMGNEN-UHFFFAOYSA-N
XLogP4.36
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.23
LogP ≤ 54.36
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-[(4-fluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]-3-iodopyridin-2-one?
The IUPAC name of 4-[(4-fluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]-3-iodopyridin-2-one (CID 10151590) is 4-[(4-fluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]-3-iodopyridin-2-one.
What is the SMILES notation for 4-[(4-fluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]-3-iodopyridin-2-one?
The canonical SMILES for 4-[(4-fluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]-3-iodopyridin-2-one is O=c1c(I)c(OCc2ccc(F)cc2)ccn1Cc1cccc(F)c1.
What is the InChIKey of 4-[(4-fluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]-3-iodopyridin-2-one?
The InChIKey is HVGIKLCOPMGNEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F2INO2/c20-15-6-4-13(5-7-15)12-25-17-8-9-23(19(24)18(17)22)11-14-2-1-3-16(21)10-14/h1-10H,11-12H2.
What are the key properties of 4-[(4-fluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]-3-iodopyridin-2-one?
4-[(4-fluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]-3-iodopyridin-2-one has a molecular weight of 453.23 g/mol, XLogP of 4.36, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)methoxy]-1-[(3-fluorophenyl)methyl]-3-iodopyridin-2-one is sourced from PubChem (CID 10151590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).