6-fluoro-4-sulfanylidene-1H-quinoline-2-carboxylic acid

C10H6FNO2S — CID 19791590

IUPAC6-fluoro-4-sulfanylidene-1H-quinoline-2-carboxylic acid
SMILESO=C(O)c1cc(=S)c2cc(F)ccc2[nH]1
InChIInChI=1S/C10H6FNO2S/c11-5-1-2-7-6(3-5)9(15)4-8(12-7)10(13)14/h1-4H,(H,12,15)(H,13,14)
InChIKeyNOSKOEYTEGHRCP-UHFFFAOYSA-N
MW223.23 g/mol
LogP2.73
Rot. Bonds1

About 6-fluoro-4-sulfanylidene-1H-quinoline-2-carboxylic acid

6-fluoro-4-sulfanylidene-1H-quinoline-2-carboxylic acid (PubChem CID 19791590) has the molecular formula C10H6FNO2S and a molecular weight of 223.23 g/mol. Its IUPAC name is 6-fluoro-4-sulfanylidene-1H-quinoline-2-carboxylic acid.

Molecular Properties

Compound Name6-fluoro-4-sulfanylidene-1H-quinoline-2-carboxylic acid
PubChem CID19791590
Molecular FormulaC10H6FNO2S
Molecular Weight223.23 g/mol
Exact Mass223.01
IUPAC Name6-fluoro-4-sulfanylidene-1H-quinoline-2-carboxylic acid
SMILESO=C(O)c1cc(=S)c2cc(F)ccc2[nH]1
InChIInChI=1S/C10H6FNO2S/c11-5-1-2-7-6(3-5)9(15)4-8(12-7)10(13)14/h1-4H,(H,12,15)(H,13,14)
InChIKeyNOSKOEYTEGHRCP-UHFFFAOYSA-N
XLogP2.73
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-4-sulfanylidene-1H-quinoline-2-carboxylic acid?
The IUPAC name of 6-fluoro-4-sulfanylidene-1H-quinoline-2-carboxylic acid (CID 19791590) is 6-fluoro-4-sulfanylidene-1H-quinoline-2-carboxylic acid.
What is the SMILES notation for 6-fluoro-4-sulfanylidene-1H-quinoline-2-carboxylic acid?
The canonical SMILES for 6-fluoro-4-sulfanylidene-1H-quinoline-2-carboxylic acid is O=C(O)c1cc(=S)c2cc(F)ccc2[nH]1.
What is the InChIKey of 6-fluoro-4-sulfanylidene-1H-quinoline-2-carboxylic acid?
The InChIKey is NOSKOEYTEGHRCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6FNO2S/c11-5-1-2-7-6(3-5)9(15)4-8(12-7)10(13)14/h1-4H,(H,12,15)(H,13,14).
What are the key properties of 6-fluoro-4-sulfanylidene-1H-quinoline-2-carboxylic acid?
6-fluoro-4-sulfanylidene-1H-quinoline-2-carboxylic acid has a molecular weight of 223.23 g/mol, XLogP of 2.73, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-4-sulfanylidene-1H-quinoline-2-carboxylic acid is sourced from PubChem (CID 19791590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).