(4-pyridin-3-ylphenyl) sulfite

C11H8NO3S- — CID 57298319

IUPAC(4-pyridin-3-ylphenyl) sulfite
SMILESO=S([O-])Oc1ccc(-c2cccnc2)cc1
InChIInChI=1S/C11H9NO3S/c13-16(14)15-11-5-3-9(4-6-11)10-2-1-7-12-8-10/h1-8H,(H,13,14)/p-1
InChIKeyZEEJHGFBJQEILV-UHFFFAOYSA-M
MW234.26 g/mol
LogP1.92
Rot. Bonds3

About (4-pyridin-3-ylphenyl) sulfite

(4-pyridin-3-ylphenyl) sulfite (PubChem CID 57298319) has the molecular formula C11H8NO3S- and a molecular weight of 234.26 g/mol. Its IUPAC name is (4-pyridin-3-ylphenyl) sulfite.

Molecular Properties

Compound Name(4-pyridin-3-ylphenyl) sulfite
PubChem CID57298319
Molecular FormulaC11H8NO3S-
Molecular Weight234.26 g/mol
Exact Mass234.02
IUPAC Name(4-pyridin-3-ylphenyl) sulfite
SMILESO=S([O-])Oc1ccc(-c2cccnc2)cc1
InChIInChI=1S/C11H9NO3S/c13-16(14)15-11-5-3-9(4-6-11)10-2-1-7-12-8-10/h1-8H,(H,13,14)/p-1
InChIKeyZEEJHGFBJQEILV-UHFFFAOYSA-M
XLogP1.92
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 ≤ 51.92
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

3-azulen-6-ylpyridine
CID 86232079
phenyl sulfite
CID 14972829
cyclopenta[c]azepine
CID 638010
potassium phenyl sulfite
CID 162337240
3-(4-propan-2-yloxyphenyl)pyridine
CID 91807940
3-[4-(4-fluorophenoxy)phenyl]pyridine
CID 91298278
CID 140826858
CID 140826858
2-(4-pyridin-3-ylphenoxy)acetaldehyde
CID 90125264
4-pyridin-3-ylbenzenesulfonyl chloride
CID 10682327
5-(4-methoxyphenyl)-2-pyridin-3-ylpyridine
CID 59027680
CID 141390156
CID 141390156
4-(4-pyridin-3-ylphenoxy)cyclohexan-1-one
CID 117051630

Frequently Asked Questions

What is the IUPAC name of (4-pyridin-3-ylphenyl) sulfite?
The IUPAC name of (4-pyridin-3-ylphenyl) sulfite (CID 57298319) is (4-pyridin-3-ylphenyl) sulfite.
What is the SMILES notation for (4-pyridin-3-ylphenyl) sulfite?
The canonical SMILES for (4-pyridin-3-ylphenyl) sulfite is O=S([O-])Oc1ccc(-c2cccnc2)cc1.
What is the InChIKey of (4-pyridin-3-ylphenyl) sulfite?
The InChIKey is ZEEJHGFBJQEILV-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H9NO3S/c13-16(14)15-11-5-3-9(4-6-11)10-2-1-7-12-8-10/h1-8H,(H,13,14)/p-1.
What are the key properties of (4-pyridin-3-ylphenyl) sulfite?
(4-pyridin-3-ylphenyl) sulfite has a molecular weight of 234.26 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-pyridin-3-ylphenyl) sulfite is sourced from PubChem (CID 57298319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).