6-[(5-chloro-2-pyridinyl)sulfanyl]-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one

C13H8ClFN2O2S — CID 80758870

IUPAC6-[(5-chloro-2-pyridinyl)sulfanyl]-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one
SMILESO=C1Nc2cc(Sc3ccc(Cl)cn3)c(F)cc2C1O
InChIInChI=1S/C13H8ClFN2O2S/c14-6-1-2-11(16-5-6)20-10-4-9-7(3-8(10)15)12(18)13(19)17-9/h1-5,12,18H,(H,17,19)
InChIKeyPYYVBASLBFGOJV-UHFFFAOYSA-N
MW310.74 g/mol
LogP3.01
Rot. Bonds2

About 6-[(5-chloro-2-pyridinyl)sulfanyl]-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one

6-[(5-chloro-2-pyridinyl)sulfanyl]-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one (PubChem CID 80758870) has the molecular formula C13H8ClFN2O2S and a molecular weight of 310.74 g/mol. Its IUPAC name is 6-[(5-chloro-2-pyridinyl)sulfanyl]-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-[(5-chloro-2-pyridinyl)sulfanyl]-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one
PubChem CID80758870
Molecular FormulaC13H8ClFN2O2S
Molecular Weight310.74 g/mol
Exact Mass310.00
IUPAC Name6-[(5-chloro-2-pyridinyl)sulfanyl]-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one
SMILESO=C1Nc2cc(Sc3ccc(Cl)cn3)c(F)cc2C1O
InChIInChI=1S/C13H8ClFN2O2S/c14-6-1-2-11(16-5-6)20-10-4-9-7(3-8(10)15)12(18)13(19)17-9/h1-5,12,18H,(H,17,19)
InChIKeyPYYVBASLBFGOJV-UHFFFAOYSA-N
XLogP3.01
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.74
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(5-chloro-2-pyridinyl)sulfanyl]-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one?
The IUPAC name of 6-[(5-chloro-2-pyridinyl)sulfanyl]-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one (CID 80758870) is 6-[(5-chloro-2-pyridinyl)sulfanyl]-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-[(5-chloro-2-pyridinyl)sulfanyl]-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one?
The canonical SMILES for 6-[(5-chloro-2-pyridinyl)sulfanyl]-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one is O=C1Nc2cc(Sc3ccc(Cl)cn3)c(F)cc2C1O.
What is the InChIKey of 6-[(5-chloro-2-pyridinyl)sulfanyl]-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one?
The InChIKey is PYYVBASLBFGOJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClFN2O2S/c14-6-1-2-11(16-5-6)20-10-4-9-7(3-8(10)15)12(18)13(19)17-9/h1-5,12,18H,(H,17,19).
What are the key properties of 6-[(5-chloro-2-pyridinyl)sulfanyl]-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one?
6-[(5-chloro-2-pyridinyl)sulfanyl]-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one has a molecular weight of 310.74 g/mol, XLogP of 3.01, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-chloro-2-pyridinyl)sulfanyl]-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one is sourced from PubChem (CID 80758870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).