2-(2,5-dichlorophenyl)sulfanyl-3-nitropyridine

C11H6Cl2N2O2S — CID 2798185

IUPAC2-(2,5-dichlorophenyl)sulfanyl-3-nitropyridine
SMILESO=[N+]([O-])c1cccnc1Sc1cc(Cl)ccc1Cl
InChIInChI=1S/C11H6Cl2N2O2S/c12-7-3-4-8(13)10(6-7)18-11-9(15(16)17)2-1-5-14-11/h1-6H
InChIKeyVYBGAPGBEQFITK-UHFFFAOYSA-N
MW301.15 g/mol
LogP4.45
Rot. Bonds3

About 2-(2,5-dichlorophenyl)sulfanyl-3-nitropyridine

2-(2,5-dichlorophenyl)sulfanyl-3-nitropyridine (PubChem CID 2798185) has the molecular formula C11H6Cl2N2O2S and a molecular weight of 301.15 g/mol. Its IUPAC name is 2-(2,5-dichlorophenyl)sulfanyl-3-nitropyridine.

Molecular Properties

Compound Name2-(2,5-dichlorophenyl)sulfanyl-3-nitropyridine
PubChem CID2798185
Molecular FormulaC11H6Cl2N2O2S
Molecular Weight301.15 g/mol
Exact Mass299.95
IUPAC Name2-(2,5-dichlorophenyl)sulfanyl-3-nitropyridine
SMILESO=[N+]([O-])c1cccnc1Sc1cc(Cl)ccc1Cl
InChIInChI=1S/C11H6Cl2N2O2S/c12-7-3-4-8(13)10(6-7)18-11-9(15(16)17)2-1-5-14-11/h1-6H
InChIKeyVYBGAPGBEQFITK-UHFFFAOYSA-N
XLogP4.45
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.15
LogP ≤ 54.45
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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Related Compounds

2-((2-Chloro-6-fluorobenzyl)sulfanyl)-5-nitropyridine
CID 588851
2-[(4-Chlorophenyl)thio]-3-nitropyridine
CID 2774370
5-Nitro-2-pyridin-2-ylsulfanylpyridine
CID 2801413
2-[(2,4,5-Trichlorophenyl)thio]-3-pyridinamine
CID 901289
5-Nitro-2-phenylsulfanylpyridine
CID 699570
2-[(3-Chlorophenyl)sulfanyl]-3-pyridinylamine
CID 901296
2-[(4-Fluorophenyl)sulfanyl]-3-nitropyridine
CID 819329
4-[(2-Chloro-4-nitrophenyl)sulfanyl]pyridine
CID 22343616
2-[(4-Chloro-2-nitrophenyl)thio]pyridine
CID 2804210
6-[(2-Chlorophenyl)sulfanyl]-3-pyridinylamine
CID 902036
4-(4-Chloro-2-nitrophenyl)sulfanylpyridine
CID 101886683
2-(2-Chlorophenyl)sulfanyl-3-nitropyridine
CID 902037

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenyl)sulfanyl-3-nitropyridine?
The IUPAC name of 2-(2,5-dichlorophenyl)sulfanyl-3-nitropyridine (CID 2798185) is 2-(2,5-dichlorophenyl)sulfanyl-3-nitropyridine.
What is the SMILES notation for 2-(2,5-dichlorophenyl)sulfanyl-3-nitropyridine?
The canonical SMILES for 2-(2,5-dichlorophenyl)sulfanyl-3-nitropyridine is O=[N+]([O-])c1cccnc1Sc1cc(Cl)ccc1Cl.
What is the InChIKey of 2-(2,5-dichlorophenyl)sulfanyl-3-nitropyridine?
The InChIKey is VYBGAPGBEQFITK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Cl2N2O2S/c12-7-3-4-8(13)10(6-7)18-11-9(15(16)17)2-1-5-14-11/h1-6H.
What are the key properties of 2-(2,5-dichlorophenyl)sulfanyl-3-nitropyridine?
2-(2,5-dichlorophenyl)sulfanyl-3-nitropyridine has a molecular weight of 301.15 g/mol, XLogP of 4.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenyl)sulfanyl-3-nitropyridine is sourced from PubChem (CID 2798185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).