5-nitro-2-phenylsulfanylpyridine

C11H8N2O2S — CID 699570

IUPAC5-nitro-2-phenylsulfanylpyridine
SMILESO=[N+]([O-])c1ccc(Sc2ccccc2)nc1
InChIInChI=1S/C11H8N2O2S/c14-13(15)9-6-7-11(12-8-9)16-10-4-2-1-3-5-10/h1-8H
InChIKeyDZMDLSOFHNYXMM-UHFFFAOYSA-N
MW232.26 g/mol
LogP3.14
Rot. Bonds3

About 5-nitro-2-phenylsulfanylpyridine

5-nitro-2-phenylsulfanylpyridine (PubChem CID 699570) has the molecular formula C11H8N2O2S and a molecular weight of 232.26 g/mol. Its IUPAC name is 5-nitro-2-phenylsulfanylpyridine.

Molecular Properties

Compound Name5-nitro-2-phenylsulfanylpyridine
PubChem CID699570
Molecular FormulaC11H8N2O2S
Molecular Weight232.26 g/mol
Exact Mass232.03
IUPAC Name5-nitro-2-phenylsulfanylpyridine
SMILESO=[N+]([O-])c1ccc(Sc2ccccc2)nc1
InChIInChI=1S/C11H8N2O2S/c14-13(15)9-6-7-11(12-8-9)16-10-4-2-1-3-5-10/h1-8H
InChIKeyDZMDLSOFHNYXMM-UHFFFAOYSA-N
XLogP3.14
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-nitro-2-phenylsulfanylpyridine?
The IUPAC name of 5-nitro-2-phenylsulfanylpyridine (CID 699570) is 5-nitro-2-phenylsulfanylpyridine.
What is the SMILES notation for 5-nitro-2-phenylsulfanylpyridine?
The canonical SMILES for 5-nitro-2-phenylsulfanylpyridine is O=[N+]([O-])c1ccc(Sc2ccccc2)nc1.
What is the InChIKey of 5-nitro-2-phenylsulfanylpyridine?
The InChIKey is DZMDLSOFHNYXMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O2S/c14-13(15)9-6-7-11(12-8-9)16-10-4-2-1-3-5-10/h1-8H.
What are the key properties of 5-nitro-2-phenylsulfanylpyridine?
5-nitro-2-phenylsulfanylpyridine has a molecular weight of 232.26 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-2-phenylsulfanylpyridine is sourced from PubChem (CID 699570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).