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

C11H7ClN2O2S — CID 22343616

IUPAC4-(2-chloro-4-nitrophenyl)sulfanylpyridine
SMILESO=[N+]([O-])c1ccc(Sc2ccncc2)c(Cl)c1
InChIInChI=1S/C11H7ClN2O2S/c12-10-7-8(14(15)16)1-2-11(10)17-9-3-5-13-6-4-9/h1-7H
InChIKeyWQQNYFFWISBZNB-UHFFFAOYSA-N
MW266.71 g/mol
LogP3.79
Rot. Bonds3

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

4-(2-chloro-4-nitrophenyl)sulfanylpyridine (PubChem CID 22343616) has the molecular formula C11H7ClN2O2S and a molecular weight of 266.71 g/mol. Its IUPAC name is 4-(2-chloro-4-nitrophenyl)sulfanylpyridine.

Molecular Properties

Compound Name4-(2-chloro-4-nitrophenyl)sulfanylpyridine
PubChem CID22343616
Molecular FormulaC11H7ClN2O2S
Molecular Weight266.71 g/mol
Exact Mass265.99
IUPAC Name4-(2-chloro-4-nitrophenyl)sulfanylpyridine
SMILESO=[N+]([O-])c1ccc(Sc2ccncc2)c(Cl)c1
InChIInChI=1S/C11H7ClN2O2S/c12-10-7-8(14(15)16)1-2-11(10)17-9-3-5-13-6-4-9/h1-7H
InChIKeyWQQNYFFWISBZNB-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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Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-4-nitrophenyl)sulfanylpyridine?
The IUPAC name of 4-(2-chloro-4-nitrophenyl)sulfanylpyridine (CID 22343616) is 4-(2-chloro-4-nitrophenyl)sulfanylpyridine.
What is the SMILES notation for 4-(2-chloro-4-nitrophenyl)sulfanylpyridine?
The canonical SMILES for 4-(2-chloro-4-nitrophenyl)sulfanylpyridine is O=[N+]([O-])c1ccc(Sc2ccncc2)c(Cl)c1.
What is the InChIKey of 4-(2-chloro-4-nitrophenyl)sulfanylpyridine?
The InChIKey is WQQNYFFWISBZNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClN2O2S/c12-10-7-8(14(15)16)1-2-11(10)17-9-3-5-13-6-4-9/h1-7H.
What are the key properties of 4-(2-chloro-4-nitrophenyl)sulfanylpyridine?
4-(2-chloro-4-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-(2-chloro-4-nitrophenyl)sulfanylpyridine is sourced from PubChem (CID 22343616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).