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

C15H10BrNO3 — CID 155525661

IUPAC(1Z)-1-[(3-bromophenyl)methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione
SMILESCc1cc2c(c(=O)[nH]1)C(=O)O/C2=C\c1cccc(Br)c1
InChIInChI=1S/C15H10BrNO3/c1-8-5-11-12(7-9-3-2-4-10(16)6-9)20-15(19)13(11)14(18)17-8/h2-7H,1H3,(H,17,18)/b12-7-
InChIKeyIOBWKSNUPRPJPK-GHXNOFRVSA-N
MW332.15 g/mol
LogP3.11
Rot. Bonds1

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

(1Z)-1-[(3-bromophenyl)methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione (PubChem CID 155525661) has the molecular formula C15H10BrNO3 and a molecular weight of 332.15 g/mol. Its IUPAC name is (1Z)-1-[(3-bromophenyl)methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione.

Molecular Properties

Compound Name(1Z)-1-[(3-bromophenyl)methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione
PubChem CID155525661
Molecular FormulaC15H10BrNO3
Molecular Weight332.15 g/mol
Exact Mass330.98
IUPAC Name(1Z)-1-[(3-bromophenyl)methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione
SMILESCc1cc2c(c(=O)[nH]1)C(=O)O/C2=C\c1cccc(Br)c1
InChIInChI=1S/C15H10BrNO3/c1-8-5-11-12(7-9-3-2-4-10(16)6-9)20-15(19)13(11)14(18)17-8/h2-7H,1H3,(H,17,18)/b12-7-
InChIKeyIOBWKSNUPRPJPK-GHXNOFRVSA-N
XLogP3.11
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.15
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1Z)-1-[(3-bromophenyl)methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione?
The IUPAC name of (1Z)-1-[(3-bromophenyl)methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione (CID 155525661) is (1Z)-1-[(3-bromophenyl)methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione.
What is the SMILES notation for (1Z)-1-[(3-bromophenyl)methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione?
The canonical SMILES for (1Z)-1-[(3-bromophenyl)methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione is Cc1cc2c(c(=O)[nH]1)C(=O)O/C2=C\c1cccc(Br)c1.
What is the InChIKey of (1Z)-1-[(3-bromophenyl)methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione?
The InChIKey is IOBWKSNUPRPJPK-GHXNOFRVSA-N. The full InChI is InChI=1S/C15H10BrNO3/c1-8-5-11-12(7-9-3-2-4-10(16)6-9)20-15(19)13(11)14(18)17-8/h2-7H,1H3,(H,17,18)/b12-7-.
What are the key properties of (1Z)-1-[(3-bromophenyl)methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione?
(1Z)-1-[(3-bromophenyl)methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione has a molecular weight of 332.15 g/mol, XLogP of 3.11, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-1-[(3-bromophenyl)methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione is sourced from PubChem (CID 155525661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).