2-chloro-5-phenylsulfanylpyridine

C11H8ClNS — CID 11195397

IUPAC2-chloro-5-phenylsulfanylpyridine
SMILESClc1ccc(Sc2ccccc2)cn1
InChIInChI=1S/C11H8ClNS/c12-11-7-6-10(8-13-11)14-9-4-2-1-3-5-9/h1-8H
InChIKeyZFXKYWKSLGJAPI-UHFFFAOYSA-N
MW221.71 g/mol
LogP3.89
Rot. Bonds2

About 2-chloro-5-phenylsulfanylpyridine

2-chloro-5-phenylsulfanylpyridine (PubChem CID 11195397) has the molecular formula C11H8ClNS and a molecular weight of 221.71 g/mol. Its IUPAC name is 2-chloro-5-phenylsulfanylpyridine.

Molecular Properties

Compound Name2-chloro-5-phenylsulfanylpyridine
PubChem CID11195397
Molecular FormulaC11H8ClNS
Molecular Weight221.71 g/mol
Exact Mass221.01
IUPAC Name2-chloro-5-phenylsulfanylpyridine
SMILESClc1ccc(Sc2ccccc2)cn1
InChIInChI=1S/C11H8ClNS/c12-11-7-6-10(8-13-11)14-9-4-2-1-3-5-9/h1-8H
InChIKeyZFXKYWKSLGJAPI-UHFFFAOYSA-N
XLogP3.89
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.71
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-phenylsulfanylpyridine?
The IUPAC name of 2-chloro-5-phenylsulfanylpyridine (CID 11195397) is 2-chloro-5-phenylsulfanylpyridine.
What is the SMILES notation for 2-chloro-5-phenylsulfanylpyridine?
The canonical SMILES for 2-chloro-5-phenylsulfanylpyridine is Clc1ccc(Sc2ccccc2)cn1.
What is the InChIKey of 2-chloro-5-phenylsulfanylpyridine?
The InChIKey is ZFXKYWKSLGJAPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClNS/c12-11-7-6-10(8-13-11)14-9-4-2-1-3-5-9/h1-8H.
What are the key properties of 2-chloro-5-phenylsulfanylpyridine?
2-chloro-5-phenylsulfanylpyridine has a molecular weight of 221.71 g/mol, XLogP of 3.89, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-phenylsulfanylpyridine is sourced from PubChem (CID 11195397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).