2-chloro-5-[(2R)-2-methylsulfanylcyclopentyl]pyridine

C11H14ClNS — CID 88937447

IUPAC2-chloro-5-[(2R)-2-methylsulfanylcyclopentyl]pyridine
SMILESCS[C@@H]1CCCC1c1ccc(Cl)nc1
InChIInChI=1S/C11H14ClNS/c1-14-10-4-2-3-9(10)8-5-6-11(12)13-7-8/h5-7,9-10H,2-4H2,1H3/t9?,10-/m1/s1
InChIKeyRKBAAZHTGBJDIA-QVDQXJPCSA-N
MW227.76 g/mol
LogP3.73
Rot. Bonds2

About 2-chloro-5-[(2R)-2-methylsulfanylcyclopentyl]pyridine

2-chloro-5-[(2R)-2-methylsulfanylcyclopentyl]pyridine (PubChem CID 88937447) has the molecular formula C11H14ClNS and a molecular weight of 227.76 g/mol. Its IUPAC name is 2-chloro-5-[(2R)-2-methylsulfanylcyclopentyl]pyridine.

Molecular Properties

Compound Name2-chloro-5-[(2R)-2-methylsulfanylcyclopentyl]pyridine
PubChem CID88937447
Molecular FormulaC11H14ClNS
Molecular Weight227.76 g/mol
Exact Mass227.05
IUPAC Name2-chloro-5-[(2R)-2-methylsulfanylcyclopentyl]pyridine
SMILESCS[C@@H]1CCCC1c1ccc(Cl)nc1
InChIInChI=1S/C11H14ClNS/c1-14-10-4-2-3-9(10)8-5-6-11(12)13-7-8/h5-7,9-10H,2-4H2,1H3/t9?,10-/m1/s1
InChIKeyRKBAAZHTGBJDIA-QVDQXJPCSA-N
XLogP3.73
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.76
LogP ≤ 53.73
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-[(2R)-2-methylsulfanylcyclopentyl]pyridine?
The IUPAC name of 2-chloro-5-[(2R)-2-methylsulfanylcyclopentyl]pyridine (CID 88937447) is 2-chloro-5-[(2R)-2-methylsulfanylcyclopentyl]pyridine.
What is the SMILES notation for 2-chloro-5-[(2R)-2-methylsulfanylcyclopentyl]pyridine?
The canonical SMILES for 2-chloro-5-[(2R)-2-methylsulfanylcyclopentyl]pyridine is CS[C@@H]1CCCC1c1ccc(Cl)nc1.
What is the InChIKey of 2-chloro-5-[(2R)-2-methylsulfanylcyclopentyl]pyridine?
The InChIKey is RKBAAZHTGBJDIA-QVDQXJPCSA-N. The full InChI is InChI=1S/C11H14ClNS/c1-14-10-4-2-3-9(10)8-5-6-11(12)13-7-8/h5-7,9-10H,2-4H2,1H3/t9?,10-/m1/s1.
What are the key properties of 2-chloro-5-[(2R)-2-methylsulfanylcyclopentyl]pyridine?
2-chloro-5-[(2R)-2-methylsulfanylcyclopentyl]pyridine has a molecular weight of 227.76 g/mol, XLogP of 3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(2R)-2-methylsulfanylcyclopentyl]pyridine is sourced from PubChem (CID 88937447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).