methyl 6-[(2-fluoro-4-iodophenyl)methyl]-5-methyl-4-oxofuro[3,2-c]pyridine-7-carboxylate

C17H13FINO4 — CID 158989170

IUPACmethyl 6-[(2-fluoro-4-iodophenyl)methyl]-5-methyl-4-oxofuro[3,2-c]pyridine-7-carboxylate
SMILESCOC(=O)c1c(Cc2ccc(I)cc2F)n(C)c(=O)c2ccoc12
InChIInChI=1S/C17H13FINO4/c1-20-13(7-9-3-4-10(19)8-12(9)18)14(17(22)23-2)15-11(16(20)21)5-6-24-15/h3-6,8H,7H2,1-2H3
InChIKeyJPYKEWAUQQGSGP-UHFFFAOYSA-N
MW441.20 g/mol
LogP3.25
Rot. Bonds3

About methyl 6-[(2-fluoro-4-iodophenyl)methyl]-5-methyl-4-oxofuro[3,2-c]pyridine-7-carboxylate

methyl 6-[(2-fluoro-4-iodophenyl)methyl]-5-methyl-4-oxofuro[3,2-c]pyridine-7-carboxylate (PubChem CID 158989170) has the molecular formula C17H13FINO4 and a molecular weight of 441.20 g/mol. Its IUPAC name is methyl 6-[(2-fluoro-4-iodophenyl)methyl]-5-methyl-4-oxofuro[3,2-c]pyridine-7-carboxylate.

Molecular Properties

Compound Namemethyl 6-[(2-fluoro-4-iodophenyl)methyl]-5-methyl-4-oxofuro[3,2-c]pyridine-7-carboxylate
PubChem CID158989170
Molecular FormulaC17H13FINO4
Molecular Weight441.20 g/mol
Exact Mass440.99
IUPAC Namemethyl 6-[(2-fluoro-4-iodophenyl)methyl]-5-methyl-4-oxofuro[3,2-c]pyridine-7-carboxylate
SMILESCOC(=O)c1c(Cc2ccc(I)cc2F)n(C)c(=O)c2ccoc12
InChIInChI=1S/C17H13FINO4/c1-20-13(7-9-3-4-10(19)8-12(9)18)14(17(22)23-2)15-11(16(20)21)5-6-24-15/h3-6,8H,7H2,1-2H3
InChIKeyJPYKEWAUQQGSGP-UHFFFAOYSA-N
XLogP3.25
TPSA61.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.20
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 6-[(2-fluoro-4-iodophenyl)methyl]-5-methyl-4-oxofuro[3,2-c]pyridine-7-carboxylate?
The IUPAC name of methyl 6-[(2-fluoro-4-iodophenyl)methyl]-5-methyl-4-oxofuro[3,2-c]pyridine-7-carboxylate (CID 158989170) is methyl 6-[(2-fluoro-4-iodophenyl)methyl]-5-methyl-4-oxofuro[3,2-c]pyridine-7-carboxylate.
What is the SMILES notation for methyl 6-[(2-fluoro-4-iodophenyl)methyl]-5-methyl-4-oxofuro[3,2-c]pyridine-7-carboxylate?
The canonical SMILES for methyl 6-[(2-fluoro-4-iodophenyl)methyl]-5-methyl-4-oxofuro[3,2-c]pyridine-7-carboxylate is COC(=O)c1c(Cc2ccc(I)cc2F)n(C)c(=O)c2ccoc12.
What is the InChIKey of methyl 6-[(2-fluoro-4-iodophenyl)methyl]-5-methyl-4-oxofuro[3,2-c]pyridine-7-carboxylate?
The InChIKey is JPYKEWAUQQGSGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FINO4/c1-20-13(7-9-3-4-10(19)8-12(9)18)14(17(22)23-2)15-11(16(20)21)5-6-24-15/h3-6,8H,7H2,1-2H3.
What are the key properties of methyl 6-[(2-fluoro-4-iodophenyl)methyl]-5-methyl-4-oxofuro[3,2-c]pyridine-7-carboxylate?
methyl 6-[(2-fluoro-4-iodophenyl)methyl]-5-methyl-4-oxofuro[3,2-c]pyridine-7-carboxylate has a molecular weight of 441.20 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(2-fluoro-4-iodophenyl)methyl]-5-methyl-4-oxofuro[3,2-c]pyridine-7-carboxylate is sourced from PubChem (CID 158989170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).