5-methyl-3-nitro-2-pyridin-2-ylsulfanylpyridine

C11H9N3O2S — CID 902034

IUPAC5-methyl-3-nitro-2-pyridin-2-ylsulfanylpyridine
SMILESCc1cnc(Sc2ccccn2)c([N+](=O)[O-])c1
InChIInChI=1S/C11H9N3O2S/c1-8-6-9(14(15)16)11(13-7-8)17-10-4-2-3-5-12-10/h2-7H,1H3
InChIKeyVMWJAAJRDRMLQU-UHFFFAOYSA-N
MW247.28 g/mol
LogP2.84
Rot. Bonds3

About 5-methyl-3-nitro-2-pyridin-2-ylsulfanylpyridine

5-methyl-3-nitro-2-pyridin-2-ylsulfanylpyridine (PubChem CID 902034) has the molecular formula C11H9N3O2S and a molecular weight of 247.28 g/mol. Its IUPAC name is 5-methyl-3-nitro-2-pyridin-2-ylsulfanylpyridine.

Molecular Properties

Compound Name5-methyl-3-nitro-2-pyridin-2-ylsulfanylpyridine
PubChem CID902034
Molecular FormulaC11H9N3O2S
Molecular Weight247.28 g/mol
Exact Mass247.04
IUPAC Name5-methyl-3-nitro-2-pyridin-2-ylsulfanylpyridine
SMILESCc1cnc(Sc2ccccn2)c([N+](=O)[O-])c1
InChIInChI=1S/C11H9N3O2S/c1-8-6-9(14(15)16)11(13-7-8)17-10-4-2-3-5-12-10/h2-7H,1H3
InChIKeyVMWJAAJRDRMLQU-UHFFFAOYSA-N
XLogP2.84
TPSA68.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.28
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-methyl-3-nitro-2-pyridin-2-ylsulfanylpyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-nitro-2-pyridin-2-ylsulfanylpyridine?
The IUPAC name of 5-methyl-3-nitro-2-pyridin-2-ylsulfanylpyridine (CID 902034) is 5-methyl-3-nitro-2-pyridin-2-ylsulfanylpyridine.
What is the SMILES notation for 5-methyl-3-nitro-2-pyridin-2-ylsulfanylpyridine?
The canonical SMILES for 5-methyl-3-nitro-2-pyridin-2-ylsulfanylpyridine is Cc1cnc(Sc2ccccn2)c([N+](=O)[O-])c1.
What is the InChIKey of 5-methyl-3-nitro-2-pyridin-2-ylsulfanylpyridine?
The InChIKey is VMWJAAJRDRMLQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O2S/c1-8-6-9(14(15)16)11(13-7-8)17-10-4-2-3-5-12-10/h2-7H,1H3.
What are the key properties of 5-methyl-3-nitro-2-pyridin-2-ylsulfanylpyridine?
5-methyl-3-nitro-2-pyridin-2-ylsulfanylpyridine has a molecular weight of 247.28 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-nitro-2-pyridin-2-ylsulfanylpyridine is sourced from PubChem (CID 902034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).