(1Z)-1-[(3,4-difluorophenyl)methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione

C15H9F2NO3 — CID 155516549

IUPAC(1Z)-1-[(3,4-difluorophenyl)methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione
SMILESCc1cc2c(c(=O)[nH]1)C(=O)O/C2=C\c1ccc(F)c(F)c1
InChIInChI=1S/C15H9F2NO3/c1-7-4-9-12(21-15(20)13(9)14(19)18-7)6-8-2-3-10(16)11(17)5-8/h2-6H,1H3,(H,18,19)/b12-6-
InChIKeyXYUZAAZOWWZUNI-SDQBBNPISA-N
MW289.24 g/mol
LogP2.63
Rot. Bonds1

About (1Z)-1-[(3,4-difluorophenyl)methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione

(1Z)-1-[(3,4-difluorophenyl)methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione (PubChem CID 155516549) has the molecular formula C15H9F2NO3 and a molecular weight of 289.24 g/mol. Its IUPAC name is (1Z)-1-[(3,4-difluorophenyl)methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione.

Molecular Properties

Compound Name(1Z)-1-[(3,4-difluorophenyl)methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione
PubChem CID155516549
Molecular FormulaC15H9F2NO3
Molecular Weight289.24 g/mol
Exact Mass289.06
IUPAC Name(1Z)-1-[(3,4-difluorophenyl)methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione
SMILESCc1cc2c(c(=O)[nH]1)C(=O)O/C2=C\c1ccc(F)c(F)c1
InChIInChI=1S/C15H9F2NO3/c1-7-4-9-12(21-15(20)13(9)14(19)18-7)6-8-2-3-10(16)11(17)5-8/h2-6H,1H3,(H,18,19)/b12-6-
InChIKeyXYUZAAZOWWZUNI-SDQBBNPISA-N
XLogP2.63
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.24
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1Z)-1-[(3,4-difluorophenyl)methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione?
The IUPAC name of (1Z)-1-[(3,4-difluorophenyl)methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione (CID 155516549) is (1Z)-1-[(3,4-difluorophenyl)methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione.
What is the SMILES notation for (1Z)-1-[(3,4-difluorophenyl)methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione?
The canonical SMILES for (1Z)-1-[(3,4-difluorophenyl)methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione is Cc1cc2c(c(=O)[nH]1)C(=O)O/C2=C\c1ccc(F)c(F)c1.
What is the InChIKey of (1Z)-1-[(3,4-difluorophenyl)methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione?
The InChIKey is XYUZAAZOWWZUNI-SDQBBNPISA-N. The full InChI is InChI=1S/C15H9F2NO3/c1-7-4-9-12(21-15(20)13(9)14(19)18-7)6-8-2-3-10(16)11(17)5-8/h2-6H,1H3,(H,18,19)/b12-6-.
What are the key properties of (1Z)-1-[(3,4-difluorophenyl)methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione?
(1Z)-1-[(3,4-difluorophenyl)methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione has a molecular weight of 289.24 g/mol, XLogP of 2.63, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-1-[(3,4-difluorophenyl)methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione is sourced from PubChem (CID 155516549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).