5-chloro-3-hydroxy-6-(4-methylpyrimidin-2-yl)sulfanyl-1,3-dihydroindol-2-one

C13H10ClN3O2S — CID 79336565

IUPAC5-chloro-3-hydroxy-6-(4-methylpyrimidin-2-yl)sulfanyl-1,3-dihydroindol-2-one
SMILESCc1ccnc(Sc2cc3c(cc2Cl)C(O)C(=O)N3)n1
InChIInChI=1S/C13H10ClN3O2S/c1-6-2-3-15-13(16-6)20-10-5-9-7(4-8(10)14)11(18)12(19)17-9/h2-5,11,18H,1H3,(H,17,19)
InChIKeyMASDFHZVUGSXGO-UHFFFAOYSA-N
MW307.76 g/mol
LogP2.58
Rot. Bonds2

About 5-chloro-3-hydroxy-6-(4-methylpyrimidin-2-yl)sulfanyl-1,3-dihydroindol-2-one

5-chloro-3-hydroxy-6-(4-methylpyrimidin-2-yl)sulfanyl-1,3-dihydroindol-2-one (PubChem CID 79336565) has the molecular formula C13H10ClN3O2S and a molecular weight of 307.76 g/mol. Its IUPAC name is 5-chloro-3-hydroxy-6-(4-methylpyrimidin-2-yl)sulfanyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-chloro-3-hydroxy-6-(4-methylpyrimidin-2-yl)sulfanyl-1,3-dihydroindol-2-one
PubChem CID79336565
Molecular FormulaC13H10ClN3O2S
Molecular Weight307.76 g/mol
Exact Mass307.02
IUPAC Name5-chloro-3-hydroxy-6-(4-methylpyrimidin-2-yl)sulfanyl-1,3-dihydroindol-2-one
SMILESCc1ccnc(Sc2cc3c(cc2Cl)C(O)C(=O)N3)n1
InChIInChI=1S/C13H10ClN3O2S/c1-6-2-3-15-13(16-6)20-10-5-9-7(4-8(10)14)11(18)12(19)17-9/h2-5,11,18H,1H3,(H,17,19)
InChIKeyMASDFHZVUGSXGO-UHFFFAOYSA-N
XLogP2.58
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.76
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-3-hydroxy-1,3-dihydroindol-2-one
CID 102926178
5-chloro-6-(4-methylpyrimidin-2-yl)sulfanyl-1H-indole-2,3-dione
CID 79335825
5-chloro-3-hydroxy-6-(1H-imidazol-2-ylsulfanyl)-1,3-dihydroindol-2-one
CID 107783381
5-chloro-6-(4-fluorophenyl)sulfanyl-3-hydroxy-1,3-dihydroindol-2-one
CID 79336076
3-amino-6-(4-methylpyrimidin-2-yl)sulfanyl-1,3-dihydroindol-2-one
CID 62268917
5-chloro-6-[(2-chlorophenyl)methylsulfanyl]-3-hydroxy-1,3-dihydroindol-2-one
CID 103290802
5-fluoro-3-hydroxy-6-pyrimidin-4-ylsulfanyl-1,3-dihydroindol-2-one
CID 80759201
5-bromo-3-hydroxy-6-pyrimidin-4-ylsulfanyl-1,3-dihydroindol-2-one
CID 79343237
4,5-bis[(4-methylpyrimidin-2-yl)sulfanyl]benzene-1,2-diol
CID 102477805
5-chloro-3-(methylamino)-6-pyridin-2-ylsulfanyl-1,3-dihydroindol-2-one
CID 79335855
tert-butyl 2-[(5-chloro-3-hydroxy-2-oxo-1,3-dihydroindol-6-yl)sulfanyl]acetate
CID 116687844
5-chloro-3-(methylamino)-6-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1,3-dihydroindol-2-one
CID 79336337

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-hydroxy-6-(4-methylpyrimidin-2-yl)sulfanyl-1,3-dihydroindol-2-one?
The IUPAC name of 5-chloro-3-hydroxy-6-(4-methylpyrimidin-2-yl)sulfanyl-1,3-dihydroindol-2-one (CID 79336565) is 5-chloro-3-hydroxy-6-(4-methylpyrimidin-2-yl)sulfanyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-chloro-3-hydroxy-6-(4-methylpyrimidin-2-yl)sulfanyl-1,3-dihydroindol-2-one?
The canonical SMILES for 5-chloro-3-hydroxy-6-(4-methylpyrimidin-2-yl)sulfanyl-1,3-dihydroindol-2-one is Cc1ccnc(Sc2cc3c(cc2Cl)C(O)C(=O)N3)n1.
What is the InChIKey of 5-chloro-3-hydroxy-6-(4-methylpyrimidin-2-yl)sulfanyl-1,3-dihydroindol-2-one?
The InChIKey is MASDFHZVUGSXGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3O2S/c1-6-2-3-15-13(16-6)20-10-5-9-7(4-8(10)14)11(18)12(19)17-9/h2-5,11,18H,1H3,(H,17,19).
What are the key properties of 5-chloro-3-hydroxy-6-(4-methylpyrimidin-2-yl)sulfanyl-1,3-dihydroindol-2-one?
5-chloro-3-hydroxy-6-(4-methylpyrimidin-2-yl)sulfanyl-1,3-dihydroindol-2-one has a molecular weight of 307.76 g/mol, XLogP of 2.58, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-hydroxy-6-(4-methylpyrimidin-2-yl)sulfanyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 79336565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).