4-(4-fluorophenyl)sulfanyl-6-methylpyrrolo[3,4-c]pyridine-1,3-dione

C14H9FN2O2S — CID 67602020

IUPAC4-(4-fluorophenyl)sulfanyl-6-methylpyrrolo[3,4-c]pyridine-1,3-dione
SMILESCc1cc2c(c(Sc3ccc(F)cc3)n1)C(=O)NC2=O
InChIInChI=1S/C14H9FN2O2S/c1-7-6-10-11(13(19)17-12(10)18)14(16-7)20-9-4-2-8(15)3-5-9/h2-6H,1H3,(H,17,18,19)
InChIKeyILBGBIDKSQJTBT-UHFFFAOYSA-N
MW288.30 g/mol
LogP2.56
Rot. Bonds2

About 4-(4-fluorophenyl)sulfanyl-6-methylpyrrolo[3,4-c]pyridine-1,3-dione

4-(4-fluorophenyl)sulfanyl-6-methylpyrrolo[3,4-c]pyridine-1,3-dione (PubChem CID 67602020) has the molecular formula C14H9FN2O2S and a molecular weight of 288.30 g/mol. Its IUPAC name is 4-(4-fluorophenyl)sulfanyl-6-methylpyrrolo[3,4-c]pyridine-1,3-dione.

Molecular Properties

Compound Name4-(4-fluorophenyl)sulfanyl-6-methylpyrrolo[3,4-c]pyridine-1,3-dione
PubChem CID67602020
Molecular FormulaC14H9FN2O2S
Molecular Weight288.30 g/mol
Exact Mass288.04
IUPAC Name4-(4-fluorophenyl)sulfanyl-6-methylpyrrolo[3,4-c]pyridine-1,3-dione
SMILESCc1cc2c(c(Sc3ccc(F)cc3)n1)C(=O)NC2=O
InChIInChI=1S/C14H9FN2O2S/c1-7-6-10-11(13(19)17-12(10)18)14(16-7)20-9-4-2-8(15)3-5-9/h2-6H,1H3,(H,17,18,19)
InChIKeyILBGBIDKSQJTBT-UHFFFAOYSA-N
XLogP2.56
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)sulfanyl-6-methylpyrrolo[3,4-c]pyridine-1,3-dione?
The IUPAC name of 4-(4-fluorophenyl)sulfanyl-6-methylpyrrolo[3,4-c]pyridine-1,3-dione (CID 67602020) is 4-(4-fluorophenyl)sulfanyl-6-methylpyrrolo[3,4-c]pyridine-1,3-dione.
What is the SMILES notation for 4-(4-fluorophenyl)sulfanyl-6-methylpyrrolo[3,4-c]pyridine-1,3-dione?
The canonical SMILES for 4-(4-fluorophenyl)sulfanyl-6-methylpyrrolo[3,4-c]pyridine-1,3-dione is Cc1cc2c(c(Sc3ccc(F)cc3)n1)C(=O)NC2=O.
What is the InChIKey of 4-(4-fluorophenyl)sulfanyl-6-methylpyrrolo[3,4-c]pyridine-1,3-dione?
The InChIKey is ILBGBIDKSQJTBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FN2O2S/c1-7-6-10-11(13(19)17-12(10)18)14(16-7)20-9-4-2-8(15)3-5-9/h2-6H,1H3,(H,17,18,19).
What are the key properties of 4-(4-fluorophenyl)sulfanyl-6-methylpyrrolo[3,4-c]pyridine-1,3-dione?
4-(4-fluorophenyl)sulfanyl-6-methylpyrrolo[3,4-c]pyridine-1,3-dione has a molecular weight of 288.30 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)sulfanyl-6-methylpyrrolo[3,4-c]pyridine-1,3-dione is sourced from PubChem (CID 67602020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).