2-(3-chloro-4-fluorophenyl)sulfanyl-3-nitropyridine

C11H6ClFN2O2S — CID 9337532

IUPAC2-(3-chloro-4-fluorophenyl)sulfanyl-3-nitropyridine
SMILESO=[N+]([O-])c1cccnc1Sc1ccc(F)c(Cl)c1
InChIInChI=1S/C11H6ClFN2O2S/c12-8-6-7(3-4-9(8)13)18-11-10(15(16)17)2-1-5-14-11/h1-6H
InChIKeyMUPHQCYXBITKOU-UHFFFAOYSA-N
MW284.70 g/mol
LogP3.93
Rot. Bonds3

About 2-(3-chloro-4-fluorophenyl)sulfanyl-3-nitropyridine

2-(3-chloro-4-fluorophenyl)sulfanyl-3-nitropyridine (PubChem CID 9337532) has the molecular formula C11H6ClFN2O2S and a molecular weight of 284.70 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)sulfanyl-3-nitropyridine.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)sulfanyl-3-nitropyridine
PubChem CID9337532
Molecular FormulaC11H6ClFN2O2S
Molecular Weight284.70 g/mol
Exact Mass283.98
IUPAC Name2-(3-chloro-4-fluorophenyl)sulfanyl-3-nitropyridine
SMILESO=[N+]([O-])c1cccnc1Sc1ccc(F)c(Cl)c1
InChIInChI=1S/C11H6ClFN2O2S/c12-8-6-7(3-4-9(8)13)18-11-10(15(16)17)2-1-5-14-11/h1-6H
InChIKeyMUPHQCYXBITKOU-UHFFFAOYSA-N
XLogP3.93
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.70
LogP ≤ 53.93
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'}

Analyze 2-(3-chloro-4-fluorophenyl)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

2-(4-methoxyphenyl)sulfanyl-3-nitropyridine
CID 10563412
N,N-diethyl-3-[(3-nitro-2-pyridinyl)sulfanyl]aniline
CID 131710724
1-[4-[(3-chloro-2-pyridinyl)sulfanyl]-2-nitrophenyl]ethanone
CID 104529985
2-(3-chlorophenyl)-5-[(3-nitro-2-pyridinyl)sulfanyl]-1,3,4-oxadiazole
CID 6493026
3-nitro-2-[(3-nitro-2-pyridinyl)trisulfanyl]pyridine
CID 18670954
3-chloro-5-[(3-nitro-2-pyridinyl)sulfanyl]-1,2,4-oxadiazole
CID 14182087
2,4-dichloro-N-[2-[(3-nitro-2-pyridinyl)sulfanyl]phenyl]benzenesulfonamide
CID 3685529
2-[(2-chlorophenyl)methylsulfanyl]-3-nitropyridine
CID 133273785
2-methylsulfanyl-5-[(3-nitro-2-pyridinyl)sulfanyl]-1,3,4-thiadiazole
CID 17399569
N-[3-fluoro-2-[(3-nitro-2-pyridinyl)sulfanyl]phenyl]acetamide
CID 101460758
2-[(1-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitropyridine
CID 15141760
(2R)-2-(3-chloro-4-fluorophenyl)sulfanyl-N-(2-nitrophenyl)propanamide
CID 8680581

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenyl)sulfanyl-3-nitropyridine?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)sulfanyl-3-nitropyridine (CID 9337532) is 2-(3-chloro-4-fluorophenyl)sulfanyl-3-nitropyridine.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)sulfanyl-3-nitropyridine?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)sulfanyl-3-nitropyridine is O=[N+]([O-])c1cccnc1Sc1ccc(F)c(Cl)c1.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)sulfanyl-3-nitropyridine?
The InChIKey is MUPHQCYXBITKOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClFN2O2S/c12-8-6-7(3-4-9(8)13)18-11-10(15(16)17)2-1-5-14-11/h1-6H.
What are the key properties of 2-(3-chloro-4-fluorophenyl)sulfanyl-3-nitropyridine?
2-(3-chloro-4-fluorophenyl)sulfanyl-3-nitropyridine has a molecular weight of 284.70 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenyl)sulfanyl-3-nitropyridine is sourced from PubChem (CID 9337532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).