5-bromo-6-[(5-chloro-2-pyridinyl)sulfanyl]-1H-indole-2,3-dione

C13H6BrClN2O2S — CID 79336533

IUPAC5-bromo-6-[(5-chloro-2-pyridinyl)sulfanyl]-1H-indole-2,3-dione
SMILESO=C1Nc2cc(Sc3ccc(Cl)cn3)c(Br)cc2C1=O
InChIInChI=1S/C13H6BrClN2O2S/c14-8-3-7-9(17-13(19)12(7)18)4-10(8)20-11-2-1-6(15)5-16-11/h1-5H,(H,17,18,19)
InChIKeyDFLYJEKFUXLBIF-UHFFFAOYSA-N
MW369.63 g/mol
LogP3.78
Rot. Bonds2

About 5-bromo-6-[(5-chloro-2-pyridinyl)sulfanyl]-1H-indole-2,3-dione

5-bromo-6-[(5-chloro-2-pyridinyl)sulfanyl]-1H-indole-2,3-dione (PubChem CID 79336533) has the molecular formula C13H6BrClN2O2S and a molecular weight of 369.63 g/mol. Its IUPAC name is 5-bromo-6-[(5-chloro-2-pyridinyl)sulfanyl]-1H-indole-2,3-dione.

Molecular Properties

Compound Name5-bromo-6-[(5-chloro-2-pyridinyl)sulfanyl]-1H-indole-2,3-dione
PubChem CID79336533
Molecular FormulaC13H6BrClN2O2S
Molecular Weight369.63 g/mol
Exact Mass367.90
IUPAC Name5-bromo-6-[(5-chloro-2-pyridinyl)sulfanyl]-1H-indole-2,3-dione
SMILESO=C1Nc2cc(Sc3ccc(Cl)cn3)c(Br)cc2C1=O
InChIInChI=1S/C13H6BrClN2O2S/c14-8-3-7-9(17-13(19)12(7)18)4-10(8)20-11-2-1-6(15)5-16-11/h1-5H,(H,17,18,19)
InChIKeyDFLYJEKFUXLBIF-UHFFFAOYSA-N
XLogP3.78
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.63
LogP ≤ 53.78
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 5-bromo-6-[(5-chloro-2-pyridinyl)sulfanyl]-1H-indole-2,3-dione?
The IUPAC name of 5-bromo-6-[(5-chloro-2-pyridinyl)sulfanyl]-1H-indole-2,3-dione (CID 79336533) is 5-bromo-6-[(5-chloro-2-pyridinyl)sulfanyl]-1H-indole-2,3-dione.
What is the SMILES notation for 5-bromo-6-[(5-chloro-2-pyridinyl)sulfanyl]-1H-indole-2,3-dione?
The canonical SMILES for 5-bromo-6-[(5-chloro-2-pyridinyl)sulfanyl]-1H-indole-2,3-dione is O=C1Nc2cc(Sc3ccc(Cl)cn3)c(Br)cc2C1=O.
What is the InChIKey of 5-bromo-6-[(5-chloro-2-pyridinyl)sulfanyl]-1H-indole-2,3-dione?
The InChIKey is DFLYJEKFUXLBIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6BrClN2O2S/c14-8-3-7-9(17-13(19)12(7)18)4-10(8)20-11-2-1-6(15)5-16-11/h1-5H,(H,17,18,19).
What are the key properties of 5-bromo-6-[(5-chloro-2-pyridinyl)sulfanyl]-1H-indole-2,3-dione?
5-bromo-6-[(5-chloro-2-pyridinyl)sulfanyl]-1H-indole-2,3-dione has a molecular weight of 369.63 g/mol, XLogP of 3.78, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-[(5-chloro-2-pyridinyl)sulfanyl]-1H-indole-2,3-dione is sourced from PubChem (CID 79336533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).