(3E)-3-[iodo(phenyl)methylidene]-N-phenylfuro[3,4-c]pyridin-1-imine

C20H13IN2O — CID 71518983

IUPAC(3E)-3-[iodo(phenyl)methylidene]-N-phenylfuro[3,4-c]pyridin-1-imine
SMILESI/C(=C1/O/C(=N\c2ccccc2)c2ccncc21)c1ccccc1
InChIInChI=1S/C20H13IN2O/c21-18(14-7-3-1-4-8-14)19-17-13-22-12-11-16(17)20(24-19)23-15-9-5-2-6-10-15/h1-13H/b19-18+,23-20-
InChIKeyGXRUVLPHWNXITD-BMUZNATDSA-N
MW424.24 g/mol
LogP5.45
Rot. Bonds2

About (3E)-3-[iodo(phenyl)methylidene]-N-phenylfuro[3,4-c]pyridin-1-imine

(3E)-3-[iodo(phenyl)methylidene]-N-phenylfuro[3,4-c]pyridin-1-imine (PubChem CID 71518983) has the molecular formula C20H13IN2O and a molecular weight of 424.24 g/mol. Its IUPAC name is (3E)-3-[iodo(phenyl)methylidene]-N-phenylfuro[3,4-c]pyridin-1-imine.

Molecular Properties

Compound Name(3E)-3-[iodo(phenyl)methylidene]-N-phenylfuro[3,4-c]pyridin-1-imine
PubChem CID71518983
Molecular FormulaC20H13IN2O
Molecular Weight424.24 g/mol
Exact Mass424.01
IUPAC Name(3E)-3-[iodo(phenyl)methylidene]-N-phenylfuro[3,4-c]pyridin-1-imine
SMILESI/C(=C1/O/C(=N\c2ccccc2)c2ccncc21)c1ccccc1
InChIInChI=1S/C20H13IN2O/c21-18(14-7-3-1-4-8-14)19-17-13-22-12-11-16(17)20(24-19)23-15-9-5-2-6-10-15/h1-13H/b19-18+,23-20-
InChIKeyGXRUVLPHWNXITD-BMUZNATDSA-N
XLogP5.45
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.24
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3E)-3-[iodo(phenyl)methylidene]-N-phenylfuro[3,4-c]pyridin-1-imine?
The IUPAC name of (3E)-3-[iodo(phenyl)methylidene]-N-phenylfuro[3,4-c]pyridin-1-imine (CID 71518983) is (3E)-3-[iodo(phenyl)methylidene]-N-phenylfuro[3,4-c]pyridin-1-imine.
What is the SMILES notation for (3E)-3-[iodo(phenyl)methylidene]-N-phenylfuro[3,4-c]pyridin-1-imine?
The canonical SMILES for (3E)-3-[iodo(phenyl)methylidene]-N-phenylfuro[3,4-c]pyridin-1-imine is I/C(=C1/O/C(=N\c2ccccc2)c2ccncc21)c1ccccc1.
What is the InChIKey of (3E)-3-[iodo(phenyl)methylidene]-N-phenylfuro[3,4-c]pyridin-1-imine?
The InChIKey is GXRUVLPHWNXITD-BMUZNATDSA-N. The full InChI is InChI=1S/C20H13IN2O/c21-18(14-7-3-1-4-8-14)19-17-13-22-12-11-16(17)20(24-19)23-15-9-5-2-6-10-15/h1-13H/b19-18+,23-20-.
What are the key properties of (3E)-3-[iodo(phenyl)methylidene]-N-phenylfuro[3,4-c]pyridin-1-imine?
(3E)-3-[iodo(phenyl)methylidene]-N-phenylfuro[3,4-c]pyridin-1-imine has a molecular weight of 424.24 g/mol, XLogP of 5.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[iodo(phenyl)methylidene]-N-phenylfuro[3,4-c]pyridin-1-imine is sourced from PubChem (CID 71518983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).