1-[(2,4-dichlorophenyl)methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione

C15H9Cl2NO3 — CID 625466

IUPAC1-[(2,4-dichlorophenyl)methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione
SMILESCc1cc2c(c(=O)[nH]1)C(=O)OC2=Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H9Cl2NO3/c1-7-4-10-12(21-15(20)13(10)14(19)18-7)5-8-2-3-9(16)6-11(8)17/h2-6H,1H3,(H,18,19)
InChIKeyCTAYGSQENJAENO-UHFFFAOYSA-N
MW322.15 g/mol
LogP3.66
Rot. Bonds1

About 1-[(2,4-dichlorophenyl)methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione

1-[(2,4-dichlorophenyl)methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione (PubChem CID 625466) has the molecular formula C15H9Cl2NO3 and a molecular weight of 322.15 g/mol. Its IUPAC name is 1-[(2,4-dichlorophenyl)methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione.

Molecular Properties

Compound Name1-[(2,4-dichlorophenyl)methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione
PubChem CID625466
Molecular FormulaC15H9Cl2NO3
Molecular Weight322.15 g/mol
Exact Mass321.00
IUPAC Name1-[(2,4-dichlorophenyl)methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione
SMILESCc1cc2c(c(=O)[nH]1)C(=O)OC2=Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H9Cl2NO3/c1-7-4-10-12(21-15(20)13(10)14(19)18-7)5-8-2-3-9(16)6-11(8)17/h2-6H,1H3,(H,18,19)
InChIKeyCTAYGSQENJAENO-UHFFFAOYSA-N
XLogP3.66
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.15
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(2,4-dichlorophenyl)methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione with MolForge

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Related Compounds

(1Z)-1-benzylidene-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione
CID 155567586
(Z)-1-(4-Chlorobenzylidene)-6-methyl-4-thioxo-4,5-dihydrofuro[3,4-c]pyridin-3(1H)-one
CID 25155058
(1Z)-1-[(2,4-dichlorophenyl)methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione
CID 1799228
(1E)-1-benzylidene-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione
CID 177643036
1,3-dichloro-2,4-dimethylbenzene;ethyl 4-methyl-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxylate;propane
CID 177239524
1-(2,4-dichlorobenzylidene)-6-methyl-4-thioxo-4,5-dihydrofuro[3,4-c]pyridin-3(1H)-one
CID 7046156
1-(2,4-Dichlorobenzylidene)-6-methyl-1H,5H-furo[3,4-c]pyridine-3,4-dione
CID 1799226
ethyl 6-[(4-chlorophenyl)methyl]-4-hydroxy-2-oxo-1H-pyridine-3-carboxylate
CID 71654903
1-[(3,4-dichlorophenyl)methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione
CID 690387
1-[(2,4-dichlorophenyl)methylidene]-6-methyl-4-sulfanylidene-5H-furo[3,4-c]pyridin-3-one
CID 4456367
(1Z)-1-[(3,4-dichlorophenyl)methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione
CID 5393855
(1Z)-1-[(2,4-dichlorophenyl)methylidene]-6-methyl-4-sulfanylidene-5H-furo[3,4-c]pyridin-3-one
CID 6114880

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dichlorophenyl)methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione?
The IUPAC name of 1-[(2,4-dichlorophenyl)methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione (CID 625466) is 1-[(2,4-dichlorophenyl)methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione.
What is the SMILES notation for 1-[(2,4-dichlorophenyl)methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione?
The canonical SMILES for 1-[(2,4-dichlorophenyl)methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione is Cc1cc2c(c(=O)[nH]1)C(=O)OC2=Cc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-[(2,4-dichlorophenyl)methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione?
The InChIKey is CTAYGSQENJAENO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2NO3/c1-7-4-10-12(21-15(20)13(10)14(19)18-7)5-8-2-3-9(16)6-11(8)17/h2-6H,1H3,(H,18,19).
What are the key properties of 1-[(2,4-dichlorophenyl)methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione?
1-[(2,4-dichlorophenyl)methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione has a molecular weight of 322.15 g/mol, XLogP of 3.66, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dichlorophenyl)methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione is sourced from PubChem (CID 625466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).