4-phenoxypyridine-2-sulfinate

C11H8NO3S- — CID 56639374

IUPAC4-phenoxypyridine-2-sulfinate
SMILESO=S([O-])c1cc(Oc2ccccc2)ccn1
InChIInChI=1S/C11H9NO3S/c13-16(14)11-8-10(6-7-12-11)15-9-4-2-1-3-5-9/h1-8H,(H,13,14)/p-1
InChIKeyBQFZRNPFNJLRCV-UHFFFAOYSA-M
MW234.26 g/mol
LogP2.11
Rot. Bonds3

About 4-phenoxypyridine-2-sulfinate

4-phenoxypyridine-2-sulfinate (PubChem CID 56639374) has the molecular formula C11H8NO3S- and a molecular weight of 234.26 g/mol. Its IUPAC name is 4-phenoxypyridine-2-sulfinate.

Molecular Properties

Compound Name4-phenoxypyridine-2-sulfinate
PubChem CID56639374
Molecular FormulaC11H8NO3S-
Molecular Weight234.26 g/mol
Exact Mass234.02
IUPAC Name4-phenoxypyridine-2-sulfinate
SMILESO=S([O-])c1cc(Oc2ccccc2)ccn1
InChIInChI=1S/C11H9NO3S/c13-16(14)11-8-10(6-7-12-11)15-9-4-2-1-3-5-9/h1-8H,(H,13,14)/p-1
InChIKeyBQFZRNPFNJLRCV-UHFFFAOYSA-M
XLogP2.11
TPSA62.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

lithium 4-chloropyridine-2-sulfinate
CID 154734119
disodium;4-[3-(4-sulfinatophenoxy)phenoxy]benzenesulfinate
CID 59847586
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CID 161329594
CID 159259752
CID 159259752
potassium phenoxybenzene
CID 19858586
iron;phenoxybenzene
CID 174434720
phenoxybenzene;2-pyridin-2-ylpyridine
CID 174917355
1,3,5-tris[4-(4-phenoxyphenoxy)phenoxy]benzene
CID 167430627
4-chloro-6-phenoxyquinoline
CID 43531961
phenyl sulfite
CID 14972829
tripotassium;phenoxybenzene;phosphate
CID 160692134
2-[methyl-(4-phenoxy-2-pyridinyl)amino]ethanol
CID 11230289

Frequently Asked Questions

What is the IUPAC name of 4-phenoxypyridine-2-sulfinate?
The IUPAC name of 4-phenoxypyridine-2-sulfinate (CID 56639374) is 4-phenoxypyridine-2-sulfinate.
What is the SMILES notation for 4-phenoxypyridine-2-sulfinate?
The canonical SMILES for 4-phenoxypyridine-2-sulfinate is O=S([O-])c1cc(Oc2ccccc2)ccn1.
What is the InChIKey of 4-phenoxypyridine-2-sulfinate?
The InChIKey is BQFZRNPFNJLRCV-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H9NO3S/c13-16(14)11-8-10(6-7-12-11)15-9-4-2-1-3-5-9/h1-8H,(H,13,14)/p-1.
What are the key properties of 4-phenoxypyridine-2-sulfinate?
4-phenoxypyridine-2-sulfinate has a molecular weight of 234.26 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenoxypyridine-2-sulfinate is sourced from PubChem (CID 56639374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).