6-[(5-chloro-2-pyridinyl)sulfanyl]-3-hydroxy-1-methyl-3H-indol-2-one

C14H11ClN2O2S — CID 81309165

IUPAC6-[(5-chloro-2-pyridinyl)sulfanyl]-3-hydroxy-1-methyl-3H-indol-2-one
SMILESCN1C(=O)C(O)c2ccc(Sc3ccc(Cl)cn3)cc21
InChIInChI=1S/C14H11ClN2O2S/c1-17-11-6-9(3-4-10(11)13(18)14(17)19)20-12-5-2-8(15)7-16-12/h2-7,13,18H,1H3
InChIKeyDUKQKFOGWRAHEC-UHFFFAOYSA-N
MW306.77 g/mol
LogP2.90
Rot. Bonds2

About 6-[(5-chloro-2-pyridinyl)sulfanyl]-3-hydroxy-1-methyl-3H-indol-2-one

6-[(5-chloro-2-pyridinyl)sulfanyl]-3-hydroxy-1-methyl-3H-indol-2-one (PubChem CID 81309165) has the molecular formula C14H11ClN2O2S and a molecular weight of 306.77 g/mol. Its IUPAC name is 6-[(5-chloro-2-pyridinyl)sulfanyl]-3-hydroxy-1-methyl-3H-indol-2-one.

Molecular Properties

Compound Name6-[(5-chloro-2-pyridinyl)sulfanyl]-3-hydroxy-1-methyl-3H-indol-2-one
PubChem CID81309165
Molecular FormulaC14H11ClN2O2S
Molecular Weight306.77 g/mol
Exact Mass306.02
IUPAC Name6-[(5-chloro-2-pyridinyl)sulfanyl]-3-hydroxy-1-methyl-3H-indol-2-one
SMILESCN1C(=O)C(O)c2ccc(Sc3ccc(Cl)cn3)cc21
InChIInChI=1S/C14H11ClN2O2S/c1-17-11-6-9(3-4-10(11)13(18)14(17)19)20-12-5-2-8(15)7-16-12/h2-7,13,18H,1H3
InChIKeyDUKQKFOGWRAHEC-UHFFFAOYSA-N
XLogP2.90
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.77
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(5-chloro-2-pyridinyl)sulfanyl]-3-hydroxy-1-methyl-3H-indol-2-one?
The IUPAC name of 6-[(5-chloro-2-pyridinyl)sulfanyl]-3-hydroxy-1-methyl-3H-indol-2-one (CID 81309165) is 6-[(5-chloro-2-pyridinyl)sulfanyl]-3-hydroxy-1-methyl-3H-indol-2-one.
What is the SMILES notation for 6-[(5-chloro-2-pyridinyl)sulfanyl]-3-hydroxy-1-methyl-3H-indol-2-one?
The canonical SMILES for 6-[(5-chloro-2-pyridinyl)sulfanyl]-3-hydroxy-1-methyl-3H-indol-2-one is CN1C(=O)C(O)c2ccc(Sc3ccc(Cl)cn3)cc21.
What is the InChIKey of 6-[(5-chloro-2-pyridinyl)sulfanyl]-3-hydroxy-1-methyl-3H-indol-2-one?
The InChIKey is DUKQKFOGWRAHEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O2S/c1-17-11-6-9(3-4-10(11)13(18)14(17)19)20-12-5-2-8(15)7-16-12/h2-7,13,18H,1H3.
What are the key properties of 6-[(5-chloro-2-pyridinyl)sulfanyl]-3-hydroxy-1-methyl-3H-indol-2-one?
6-[(5-chloro-2-pyridinyl)sulfanyl]-3-hydroxy-1-methyl-3H-indol-2-one has a molecular weight of 306.77 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-chloro-2-pyridinyl)sulfanyl]-3-hydroxy-1-methyl-3H-indol-2-one is sourced from PubChem (CID 81309165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).