6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-5-fluoro-1H-indole-2,3-dione

C15H11FN2O2S — CID 102925059

IUPAC6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-5-fluoro-1H-indole-2,3-dione
SMILESCc1cc(C)nc(Sc2cc3c(cc2F)C(=O)C(=O)N3)c1
InChIInChI=1S/C15H11FN2O2S/c1-7-3-8(2)17-13(4-7)21-12-6-11-9(5-10(12)16)14(19)15(20)18-11/h3-6H,1-2H3,(H,18,19,20)
InChIKeyJSPAMTBFOGUCAV-UHFFFAOYSA-N
MW302.33 g/mol
LogP3.12
Rot. Bonds2

About 6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-5-fluoro-1H-indole-2,3-dione

6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-5-fluoro-1H-indole-2,3-dione (PubChem CID 102925059) has the molecular formula C15H11FN2O2S and a molecular weight of 302.33 g/mol. Its IUPAC name is 6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-5-fluoro-1H-indole-2,3-dione.

Molecular Properties

Compound Name6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-5-fluoro-1H-indole-2,3-dione
PubChem CID102925059
Molecular FormulaC15H11FN2O2S
Molecular Weight302.33 g/mol
Exact Mass302.05
IUPAC Name6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-5-fluoro-1H-indole-2,3-dione
SMILESCc1cc(C)nc(Sc2cc3c(cc2F)C(=O)C(=O)N3)c1
InChIInChI=1S/C15H11FN2O2S/c1-7-3-8(2)17-13(4-7)21-12-6-11-9(5-10(12)16)14(19)15(20)18-11/h3-6H,1-2H3,(H,18,19,20)
InChIKeyJSPAMTBFOGUCAV-UHFFFAOYSA-N
XLogP3.12
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-5-fluoro-1H-indole-2,3-dione?
The IUPAC name of 6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-5-fluoro-1H-indole-2,3-dione (CID 102925059) is 6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-5-fluoro-1H-indole-2,3-dione.
What is the SMILES notation for 6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-5-fluoro-1H-indole-2,3-dione?
The canonical SMILES for 6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-5-fluoro-1H-indole-2,3-dione is Cc1cc(C)nc(Sc2cc3c(cc2F)C(=O)C(=O)N3)c1.
What is the InChIKey of 6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-5-fluoro-1H-indole-2,3-dione?
The InChIKey is JSPAMTBFOGUCAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O2S/c1-7-3-8(2)17-13(4-7)21-12-6-11-9(5-10(12)16)14(19)15(20)18-11/h3-6H,1-2H3,(H,18,19,20).
What are the key properties of 6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-5-fluoro-1H-indole-2,3-dione?
6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-5-fluoro-1H-indole-2,3-dione has a molecular weight of 302.33 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-5-fluoro-1H-indole-2,3-dione is sourced from PubChem (CID 102925059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).