4-(5-chloro-2-nitrophenyl)sulfanylpyridine

C11H7ClN2O2S — CID 59788598

IUPAC4-(5-chloro-2-nitrophenyl)sulfanylpyridine
SMILESO=[N+]([O-])c1ccc(Cl)cc1Sc1ccncc1
InChIInChI=1S/C11H7ClN2O2S/c12-8-1-2-10(14(15)16)11(7-8)17-9-3-5-13-6-4-9/h1-7H
InChIKeyJZHLQWOPPUBEJN-UHFFFAOYSA-N
MW266.71 g/mol
LogP3.79
Rot. Bonds3

About 4-(5-chloro-2-nitrophenyl)sulfanylpyridine

4-(5-chloro-2-nitrophenyl)sulfanylpyridine (PubChem CID 59788598) has the molecular formula C11H7ClN2O2S and a molecular weight of 266.71 g/mol. Its IUPAC name is 4-(5-chloro-2-nitrophenyl)sulfanylpyridine.

Molecular Properties

Compound Name4-(5-chloro-2-nitrophenyl)sulfanylpyridine
PubChem CID59788598
Molecular FormulaC11H7ClN2O2S
Molecular Weight266.71 g/mol
Exact Mass265.99
IUPAC Name4-(5-chloro-2-nitrophenyl)sulfanylpyridine
SMILESO=[N+]([O-])c1ccc(Cl)cc1Sc1ccncc1
InChIInChI=1S/C11H7ClN2O2S/c12-8-1-2-10(14(15)16)11(7-8)17-9-3-5-13-6-4-9/h1-7H
InChIKeyJZHLQWOPPUBEJN-UHFFFAOYSA-N
XLogP3.79
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.71
LogP ≤ 53.79
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-[(4-Chlorophenyl)thio]-3-nitropyridine
CID 2774370
4-[(2-Chloro-4-nitrophenyl)sulfanyl]pyridine
CID 22343616
2-[(4-Chloro-2-nitrophenyl)thio]pyridine
CID 2804210
4-(4-Chloro-2-nitrophenyl)sulfanylpyridine
CID 101886683
2-(2-Chlorophenyl)sulfanyl-3-nitropyridine
CID 902037
2-(5-Chloro-2-nitrophenyl)sulfanylpyridine
CID 959555
2-[(2-Chloro-4-nitrophenyl)thio]pyridine
CID 895264
2-[(2-Chlorophenyl)sulfanyl]-5-nitropyridine
CID 901283
1H-Pyrrole, 1-((5-chloro-2-nitrophenyl)sulfonyl)-
CID 464716
2-(3,4-Dichlorophenyl)sulfanyl-5-nitropyridine
CID 901295
2-[(3,5-Dichloro-4-pyridinyl)sulfanyl]aniline
CID 2746603
2-(2-Pyridylsulfanyl)nitrobenzene
CID 10263334

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2-nitrophenyl)sulfanylpyridine?
The IUPAC name of 4-(5-chloro-2-nitrophenyl)sulfanylpyridine (CID 59788598) is 4-(5-chloro-2-nitrophenyl)sulfanylpyridine.
What is the SMILES notation for 4-(5-chloro-2-nitrophenyl)sulfanylpyridine?
The canonical SMILES for 4-(5-chloro-2-nitrophenyl)sulfanylpyridine is O=[N+]([O-])c1ccc(Cl)cc1Sc1ccncc1.
What is the InChIKey of 4-(5-chloro-2-nitrophenyl)sulfanylpyridine?
The InChIKey is JZHLQWOPPUBEJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClN2O2S/c12-8-1-2-10(14(15)16)11(7-8)17-9-3-5-13-6-4-9/h1-7H.
What are the key properties of 4-(5-chloro-2-nitrophenyl)sulfanylpyridine?
4-(5-chloro-2-nitrophenyl)sulfanylpyridine has a molecular weight of 266.71 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-2-nitrophenyl)sulfanylpyridine is sourced from PubChem (CID 59788598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).