6-(6-fluoro-3-pyridinyl)-1-pyridin-3-ylsulfonylindole-3-carboxylic acid

C19H12FN3O4S — CID 134346754

IUPAC6-(6-fluoro-3-pyridinyl)-1-pyridin-3-ylsulfonylindole-3-carboxylic acid
SMILESO=C(O)c1cn(S(=O)(=O)c2cccnc2)c2cc(-c3ccc(F)nc3)ccc12
InChIInChI=1S/C19H12FN3O4S/c20-18-6-4-13(9-22-18)12-3-5-15-16(19(24)25)11-23(17(15)8-12)28(26,27)14-2-1-7-21-10-14/h1-11H,(H,24,25)
InChIKeyVKXQQWXJUAEZIJ-UHFFFAOYSA-N
MW397.39 g/mol
LogP3.17
Rot. Bonds4

About 6-(6-fluoro-3-pyridinyl)-1-pyridin-3-ylsulfonylindole-3-carboxylic acid

6-(6-fluoro-3-pyridinyl)-1-pyridin-3-ylsulfonylindole-3-carboxylic acid (PubChem CID 134346754) has the molecular formula C19H12FN3O4S and a molecular weight of 397.39 g/mol. Its IUPAC name is 6-(6-fluoro-3-pyridinyl)-1-pyridin-3-ylsulfonylindole-3-carboxylic acid.

Molecular Properties

Compound Name6-(6-fluoro-3-pyridinyl)-1-pyridin-3-ylsulfonylindole-3-carboxylic acid
PubChem CID134346754
Molecular FormulaC19H12FN3O4S
Molecular Weight397.39 g/mol
Exact Mass397.05
IUPAC Name6-(6-fluoro-3-pyridinyl)-1-pyridin-3-ylsulfonylindole-3-carboxylic acid
SMILESO=C(O)c1cn(S(=O)(=O)c2cccnc2)c2cc(-c3ccc(F)nc3)ccc12
InChIInChI=1S/C19H12FN3O4S/c20-18-6-4-13(9-22-18)12-3-5-15-16(19(24)25)11-23(17(15)8-12)28(26,27)14-2-1-7-21-10-14/h1-11H,(H,24,25)
InChIKeyVKXQQWXJUAEZIJ-UHFFFAOYSA-N
XLogP3.17
TPSA102.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.39
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(6-fluoro-3-pyridinyl)-1-pyridin-3-ylsulfonylindole-3-carboxylic acid?
The IUPAC name of 6-(6-fluoro-3-pyridinyl)-1-pyridin-3-ylsulfonylindole-3-carboxylic acid (CID 134346754) is 6-(6-fluoro-3-pyridinyl)-1-pyridin-3-ylsulfonylindole-3-carboxylic acid.
What is the SMILES notation for 6-(6-fluoro-3-pyridinyl)-1-pyridin-3-ylsulfonylindole-3-carboxylic acid?
The canonical SMILES for 6-(6-fluoro-3-pyridinyl)-1-pyridin-3-ylsulfonylindole-3-carboxylic acid is O=C(O)c1cn(S(=O)(=O)c2cccnc2)c2cc(-c3ccc(F)nc3)ccc12.
What is the InChIKey of 6-(6-fluoro-3-pyridinyl)-1-pyridin-3-ylsulfonylindole-3-carboxylic acid?
The InChIKey is VKXQQWXJUAEZIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12FN3O4S/c20-18-6-4-13(9-22-18)12-3-5-15-16(19(24)25)11-23(17(15)8-12)28(26,27)14-2-1-7-21-10-14/h1-11H,(H,24,25).
What are the key properties of 6-(6-fluoro-3-pyridinyl)-1-pyridin-3-ylsulfonylindole-3-carboxylic acid?
6-(6-fluoro-3-pyridinyl)-1-pyridin-3-ylsulfonylindole-3-carboxylic acid has a molecular weight of 397.39 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-fluoro-3-pyridinyl)-1-pyridin-3-ylsulfonylindole-3-carboxylic acid is sourced from PubChem (CID 134346754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).