2-chloro-5-methylsulfanylpyridine

C6H6ClNS — CID 23436923

IUPAC2-chloro-5-methylsulfanylpyridine
SMILESCSc1ccc(Cl)nc1
InChIInChI=1S/C6H6ClNS/c1-9-5-2-3-6(7)8-4-5/h2-4H,1H3
InChIKeyGKQDGTBDVTVIDS-UHFFFAOYSA-N
MW159.64 g/mol
LogP2.46
Rot. Bonds1

About 2-chloro-5-methylsulfanylpyridine

2-chloro-5-methylsulfanylpyridine (PubChem CID 23436923) has the molecular formula C6H6ClNS and a molecular weight of 159.64 g/mol. Its IUPAC name is 2-chloro-5-methylsulfanylpyridine.

Molecular Properties

Compound Name2-chloro-5-methylsulfanylpyridine
PubChem CID23436923
Molecular FormulaC6H6ClNS
Molecular Weight159.64 g/mol
Exact Mass158.99
IUPAC Name2-chloro-5-methylsulfanylpyridine
SMILESCSc1ccc(Cl)nc1
InChIInChI=1S/C6H6ClNS/c1-9-5-2-3-6(7)8-4-5/h2-4H,1H3
InChIKeyGKQDGTBDVTVIDS-UHFFFAOYSA-N
XLogP2.46
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.64
LogP ≤ 52.46
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-methylsulfanylpyridine?
The IUPAC name of 2-chloro-5-methylsulfanylpyridine (CID 23436923) is 2-chloro-5-methylsulfanylpyridine.
What is the SMILES notation for 2-chloro-5-methylsulfanylpyridine?
The canonical SMILES for 2-chloro-5-methylsulfanylpyridine is CSc1ccc(Cl)nc1.
What is the InChIKey of 2-chloro-5-methylsulfanylpyridine?
The InChIKey is GKQDGTBDVTVIDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClNS/c1-9-5-2-3-6(7)8-4-5/h2-4H,1H3.
What are the key properties of 2-chloro-5-methylsulfanylpyridine?
2-chloro-5-methylsulfanylpyridine has a molecular weight of 159.64 g/mol, XLogP of 2.46, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methylsulfanylpyridine is sourced from PubChem (CID 23436923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).