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

C11H5Cl3N2O2S — CID 43260475

IUPAC6-chloro-2-(2,5-dichlorophenyl)sulfanyl-3-nitropyridine
SMILESO=[N+]([O-])c1ccc(Cl)nc1Sc1cc(Cl)ccc1Cl
InChIInChI=1S/C11H5Cl3N2O2S/c12-6-1-2-7(13)9(5-6)19-11-8(16(17)18)3-4-10(14)15-11/h1-5H
InChIKeyCAIVIOPHNUTUGL-UHFFFAOYSA-N
MW335.60 g/mol
LogP5.10
Rot. Bonds3

About 6-chloro-2-(2,5-dichlorophenyl)sulfanyl-3-nitropyridine

6-chloro-2-(2,5-dichlorophenyl)sulfanyl-3-nitropyridine (PubChem CID 43260475) has the molecular formula C11H5Cl3N2O2S and a molecular weight of 335.60 g/mol. Its IUPAC name is 6-chloro-2-(2,5-dichlorophenyl)sulfanyl-3-nitropyridine.

Molecular Properties

Compound Name6-chloro-2-(2,5-dichlorophenyl)sulfanyl-3-nitropyridine
PubChem CID43260475
Molecular FormulaC11H5Cl3N2O2S
Molecular Weight335.60 g/mol
Exact Mass333.91
IUPAC Name6-chloro-2-(2,5-dichlorophenyl)sulfanyl-3-nitropyridine
SMILESO=[N+]([O-])c1ccc(Cl)nc1Sc1cc(Cl)ccc1Cl
InChIInChI=1S/C11H5Cl3N2O2S/c12-6-1-2-7(13)9(5-6)19-11-8(16(17)18)3-4-10(14)15-11/h1-5H
InChIKeyCAIVIOPHNUTUGL-UHFFFAOYSA-N
XLogP5.10
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.60
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 6-chloro-2-(2,5-dichlorophenyl)sulfanyl-3-nitropyridine with MolForge

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

Launch Full Analysis

Related Compounds

5-(2,5-dichlorophenyl)sulfanyl-2-nitroaniline
CID 106752170
6-chloro-2-(3-methylbutan-2-ylsulfanyl)-3-nitropyridine
CID 107751113
2-[(6-chloro-3-nitro-2-pyridinyl)sulfanyl]pyrazine
CID 63380617
3-[(6-chloro-3-nitro-2-pyridinyl)sulfanyl]butan-2-ol
CID 107770921
6-(2,5-difluorophenyl)sulfanyl-5-nitropyridin-2-amine
CID 80884801
2-[(6-chloro-3-nitro-2-pyridinyl)sulfanyl]-1H-benzimidazole
CID 43260489
CID 58762875
CID 58762875
6-chloro-2-(cyclopentylmethylsulfanyl)-3-nitropyridine
CID 55177345
6-chloro-2-(3,4-difluorophenyl)-3-nitropyridine
CID 79072868
4-chloro-2-(2,5-dichlorophenyl)-1-nitrobenzene
CID 19878908
2,3-dichloro-1-(2,4-dichlorophenyl)sulfanyl-4-nitrobenzene
CID 70143774
2-benzylsulfanyl-6-chloro-3-nitropyridine
CID 43260471

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(2,5-dichlorophenyl)sulfanyl-3-nitropyridine?
The IUPAC name of 6-chloro-2-(2,5-dichlorophenyl)sulfanyl-3-nitropyridine (CID 43260475) is 6-chloro-2-(2,5-dichlorophenyl)sulfanyl-3-nitropyridine.
What is the SMILES notation for 6-chloro-2-(2,5-dichlorophenyl)sulfanyl-3-nitropyridine?
The canonical SMILES for 6-chloro-2-(2,5-dichlorophenyl)sulfanyl-3-nitropyridine is O=[N+]([O-])c1ccc(Cl)nc1Sc1cc(Cl)ccc1Cl.
What is the InChIKey of 6-chloro-2-(2,5-dichlorophenyl)sulfanyl-3-nitropyridine?
The InChIKey is CAIVIOPHNUTUGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5Cl3N2O2S/c12-6-1-2-7(13)9(5-6)19-11-8(16(17)18)3-4-10(14)15-11/h1-5H.
What are the key properties of 6-chloro-2-(2,5-dichlorophenyl)sulfanyl-3-nitropyridine?
6-chloro-2-(2,5-dichlorophenyl)sulfanyl-3-nitropyridine has a molecular weight of 335.60 g/mol, XLogP of 5.10, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(2,5-dichlorophenyl)sulfanyl-3-nitropyridine is sourced from PubChem (CID 43260475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).