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

C15H9Cl2NO3 — CID 5393855

IUPAC(1Z)-1-[(3,4-dichlorophenyl)methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione
SMILESCc1cc2c(c(=O)[nH]1)C(=O)O/C2=C\c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H9Cl2NO3/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-
InChIKeyIBFKTJCLQKKLDT-SDQBBNPISA-N
MW322.15 g/mol
LogP3.66
Rot. Bonds1

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

(1Z)-1-[(3,4-dichlorophenyl)methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione (PubChem CID 5393855) has the molecular formula C15H9Cl2NO3 and a molecular weight of 322.15 g/mol. Its IUPAC name is (1Z)-1-[(3,4-dichlorophenyl)methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione.

Molecular Properties

Compound Name(1Z)-1-[(3,4-dichlorophenyl)methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione
PubChem CID5393855
Molecular FormulaC15H9Cl2NO3
Molecular Weight322.15 g/mol
Exact Mass321.00
IUPAC Name(1Z)-1-[(3,4-dichlorophenyl)methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione
SMILESCc1cc2c(c(=O)[nH]1)C(=O)O/C2=C\c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H9Cl2NO3/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-
InChIKeyIBFKTJCLQKKLDT-SDQBBNPISA-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 (1Z)-1-[(3,4-dichlorophenyl)methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3,4-Dichloro-benzylidene)-6-methyl-4-thioxo-4,5-dihydro-1H-furo[3,4-c]pyridin-3-one
CID 5371369
(1Z)-1-[(2,4-dichlorophenyl)methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione
CID 1799228
1-(2,4-Dichlorobenzylidene)-6-methyl-1H,5H-furo[3,4-c]pyridine-3,4-dione
CID 1799226
5-[(3,4-dichlorophenyl)methyl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxylic acid
CID 20316358
4-[(3,4-dichlorophenyl)methyl]-6-methyl-2-oxo-1H-pyridine-3-carboxylic acid
CID 20316366
5-chloro-4-(3,4-dichlorophenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxylic acid
CID 169258438
4-(3,4-dichlorophenyl)-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxylic acid
CID 169258442
ethyl 5-chloro-4-(3,4-dichlorophenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxylate
CID 169258444
4-(3,4-dichlorophenyl)-5-ethyl-6-methyl-2-oxo-1H-pyridine-3-carboxylic acid
CID 169258445
4-(3,4-dichlorophenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxylic acid
CID 169258451
ethyl 4-(3,4-dichlorophenyl)-6-methyl-2-oxo-1H-pyridine-3-carboxylate
CID 169258454
ethyl 4-(3,4-dichlorophenyl)-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxylate
CID 169258456

Frequently Asked Questions

What is the IUPAC name of (1Z)-1-[(3,4-dichlorophenyl)methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione?
The IUPAC name of (1Z)-1-[(3,4-dichlorophenyl)methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione (CID 5393855) is (1Z)-1-[(3,4-dichlorophenyl)methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione.
What is the SMILES notation for (1Z)-1-[(3,4-dichlorophenyl)methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione?
The canonical SMILES for (1Z)-1-[(3,4-dichlorophenyl)methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione is Cc1cc2c(c(=O)[nH]1)C(=O)O/C2=C\c1ccc(Cl)c(Cl)c1.
What is the InChIKey of (1Z)-1-[(3,4-dichlorophenyl)methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione?
The InChIKey is IBFKTJCLQKKLDT-SDQBBNPISA-N. The full InChI is InChI=1S/C15H9Cl2NO3/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-dichlorophenyl)methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione?
(1Z)-1-[(3,4-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 (1Z)-1-[(3,4-dichlorophenyl)methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione is sourced from PubChem (CID 5393855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).