4-fluoro-3-formylpyridine-2,6-disulfonic acid

C6H4FNO7S2 — CID 86597067

IUPAC4-fluoro-3-formylpyridine-2,6-disulfonic acid
SMILESO=Cc1c(F)cc(S(=O)(=O)O)nc1S(=O)(=O)O
InChIInChI=1S/C6H4FNO7S2/c7-4-1-5(16(10,11)12)8-6(3(4)2-9)17(13,14)15/h1-2H,(H,10,11,12)(H,13,14,15)
InChIKeyMKNORLKZUXIBAA-UHFFFAOYSA-N
MW285.23 g/mol
LogP-0.47
Rot. Bonds3

About 4-fluoro-3-formylpyridine-2,6-disulfonic acid

4-fluoro-3-formylpyridine-2,6-disulfonic acid (PubChem CID 86597067) has the molecular formula C6H4FNO7S2 and a molecular weight of 285.23 g/mol. Its IUPAC name is 4-fluoro-3-formylpyridine-2,6-disulfonic acid.

Molecular Properties

Compound Name4-fluoro-3-formylpyridine-2,6-disulfonic acid
PubChem CID86597067
Molecular FormulaC6H4FNO7S2
Molecular Weight285.23 g/mol
Exact Mass284.94
IUPAC Name4-fluoro-3-formylpyridine-2,6-disulfonic acid
SMILESO=Cc1c(F)cc(S(=O)(=O)O)nc1S(=O)(=O)O
InChIInChI=1S/C6H4FNO7S2/c7-4-1-5(16(10,11)12)8-6(3(4)2-9)17(13,14)15/h1-2H,(H,10,11,12)(H,13,14,15)
InChIKeyMKNORLKZUXIBAA-UHFFFAOYSA-N
XLogP-0.47
TPSA138.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.23
LogP ≤ 5-0.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-formylpyridine-2,6-disulfonic acid?
The IUPAC name of 4-fluoro-3-formylpyridine-2,6-disulfonic acid (CID 86597067) is 4-fluoro-3-formylpyridine-2,6-disulfonic acid.
What is the SMILES notation for 4-fluoro-3-formylpyridine-2,6-disulfonic acid?
The canonical SMILES for 4-fluoro-3-formylpyridine-2,6-disulfonic acid is O=Cc1c(F)cc(S(=O)(=O)O)nc1S(=O)(=O)O.
What is the InChIKey of 4-fluoro-3-formylpyridine-2,6-disulfonic acid?
The InChIKey is MKNORLKZUXIBAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4FNO7S2/c7-4-1-5(16(10,11)12)8-6(3(4)2-9)17(13,14)15/h1-2H,(H,10,11,12)(H,13,14,15).
What are the key properties of 4-fluoro-3-formylpyridine-2,6-disulfonic acid?
4-fluoro-3-formylpyridine-2,6-disulfonic acid has a molecular weight of 285.23 g/mol, XLogP of -0.47, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-formylpyridine-2,6-disulfonic acid is sourced from PubChem (CID 86597067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).