5-fluoro-3-methyl-4-sulfanyl-1H-indol-2-ol

C9H8FNOS — CID 150176127

IUPAC5-fluoro-3-methyl-4-sulfanyl-1H-indol-2-ol
SMILESCc1c(O)[nH]c2ccc(F)c(S)c12
InChIInChI=1S/C9H8FNOS/c1-4-7-6(11-9(4)12)3-2-5(10)8(7)13/h2-3,11-13H,1H3
InChIKeyFKLHZRNCJLIBEQ-UHFFFAOYSA-N
MW197.23 g/mol
LogP2.61
Rot. Bonds

About 5-fluoro-3-methyl-4-sulfanyl-1H-indol-2-ol

5-fluoro-3-methyl-4-sulfanyl-1H-indol-2-ol (PubChem CID 150176127) has the molecular formula C9H8FNOS and a molecular weight of 197.23 g/mol. Its IUPAC name is 5-fluoro-3-methyl-4-sulfanyl-1H-indol-2-ol.

Molecular Properties

Compound Name5-fluoro-3-methyl-4-sulfanyl-1H-indol-2-ol
PubChem CID150176127
Molecular FormulaC9H8FNOS
Molecular Weight197.23 g/mol
Exact Mass197.03
IUPAC Name5-fluoro-3-methyl-4-sulfanyl-1H-indol-2-ol
SMILESCc1c(O)[nH]c2ccc(F)c(S)c12
InChIInChI=1S/C9H8FNOS/c1-4-7-6(11-9(4)12)3-2-5(10)8(7)13/h2-3,11-13H,1H3
InChIKeyFKLHZRNCJLIBEQ-UHFFFAOYSA-N
XLogP2.61
TPSA36.02 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-methyl-4-sulfanyl-1H-indol-2-ol?
The IUPAC name of 5-fluoro-3-methyl-4-sulfanyl-1H-indol-2-ol (CID 150176127) is 5-fluoro-3-methyl-4-sulfanyl-1H-indol-2-ol.
What is the SMILES notation for 5-fluoro-3-methyl-4-sulfanyl-1H-indol-2-ol?
The canonical SMILES for 5-fluoro-3-methyl-4-sulfanyl-1H-indol-2-ol is Cc1c(O)[nH]c2ccc(F)c(S)c12.
What is the InChIKey of 5-fluoro-3-methyl-4-sulfanyl-1H-indol-2-ol?
The InChIKey is FKLHZRNCJLIBEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FNOS/c1-4-7-6(11-9(4)12)3-2-5(10)8(7)13/h2-3,11-13H,1H3.
What are the key properties of 5-fluoro-3-methyl-4-sulfanyl-1H-indol-2-ol?
5-fluoro-3-methyl-4-sulfanyl-1H-indol-2-ol has a molecular weight of 197.23 g/mol, XLogP of 2.61, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-methyl-4-sulfanyl-1H-indol-2-ol is sourced from PubChem (CID 150176127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).