2-fluoro-6-methoxy-1H-indole-3-sulfinic acid

C9H8FNO3S — CID 135201636

IUPAC2-fluoro-6-methoxy-1H-indole-3-sulfinic acid
SMILESCOc1ccc2c(S(=O)O)c(F)[nH]c2c1
InChIInChI=1S/C9H8FNO3S/c1-14-5-2-3-6-7(4-5)11-9(10)8(6)15(12)13/h2-4,11H,1H3,(H,12,13)
InChIKeyVDXJSROAMYFXCI-UHFFFAOYSA-N
MW229.23 g/mol
LogP1.90
Rot. Bonds2

About 2-fluoro-6-methoxy-1H-indole-3-sulfinic acid

2-fluoro-6-methoxy-1H-indole-3-sulfinic acid (PubChem CID 135201636) has the molecular formula C9H8FNO3S and a molecular weight of 229.23 g/mol. Its IUPAC name is 2-fluoro-6-methoxy-1H-indole-3-sulfinic acid.

Molecular Properties

Compound Name2-fluoro-6-methoxy-1H-indole-3-sulfinic acid
PubChem CID135201636
Molecular FormulaC9H8FNO3S
Molecular Weight229.23 g/mol
Exact Mass229.02
IUPAC Name2-fluoro-6-methoxy-1H-indole-3-sulfinic acid
SMILESCOc1ccc2c(S(=O)O)c(F)[nH]c2c1
InChIInChI=1S/C9H8FNO3S/c1-14-5-2-3-6-7(4-5)11-9(10)8(6)15(12)13/h2-4,11H,1H3,(H,12,13)
InChIKeyVDXJSROAMYFXCI-UHFFFAOYSA-N
XLogP1.90
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-methoxy-1H-indole-3-sulfinic acid?
The IUPAC name of 2-fluoro-6-methoxy-1H-indole-3-sulfinic acid (CID 135201636) is 2-fluoro-6-methoxy-1H-indole-3-sulfinic acid.
What is the SMILES notation for 2-fluoro-6-methoxy-1H-indole-3-sulfinic acid?
The canonical SMILES for 2-fluoro-6-methoxy-1H-indole-3-sulfinic acid is COc1ccc2c(S(=O)O)c(F)[nH]c2c1.
What is the InChIKey of 2-fluoro-6-methoxy-1H-indole-3-sulfinic acid?
The InChIKey is VDXJSROAMYFXCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FNO3S/c1-14-5-2-3-6-7(4-5)11-9(10)8(6)15(12)13/h2-4,11H,1H3,(H,12,13).
What are the key properties of 2-fluoro-6-methoxy-1H-indole-3-sulfinic acid?
2-fluoro-6-methoxy-1H-indole-3-sulfinic acid has a molecular weight of 229.23 g/mol, XLogP of 1.90, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-methoxy-1H-indole-3-sulfinic acid is sourced from PubChem (CID 135201636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).