2-chloro-4-propylsulfanylpyridine

C8H10ClNS — CID 63778827

IUPAC2-chloro-4-propylsulfanylpyridine
SMILESCCCSc1ccnc(Cl)c1
InChIInChI=1S/C8H10ClNS/c1-2-5-11-7-3-4-10-8(9)6-7/h3-4,6H,2,5H2,1H3
InChIKeyUDPHQSINPMPNCO-UHFFFAOYSA-N
MW187.70 g/mol
LogP3.24
Rot. Bonds3

About 2-chloro-4-propylsulfanylpyridine

2-chloro-4-propylsulfanylpyridine (PubChem CID 63778827) has the molecular formula C8H10ClNS and a molecular weight of 187.70 g/mol. Its IUPAC name is 2-chloro-4-propylsulfanylpyridine.

Molecular Properties

Compound Name2-chloro-4-propylsulfanylpyridine
PubChem CID63778827
Molecular FormulaC8H10ClNS
Molecular Weight187.70 g/mol
Exact Mass187.02
IUPAC Name2-chloro-4-propylsulfanylpyridine
SMILESCCCSc1ccnc(Cl)c1
InChIInChI=1S/C8H10ClNS/c1-2-5-11-7-3-4-10-8(9)6-7/h3-4,6H,2,5H2,1H3
InChIKeyUDPHQSINPMPNCO-UHFFFAOYSA-N
XLogP3.24
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.70
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-chloro-4-propylsulfanylpyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-propylsulfanylpyridine?
The IUPAC name of 2-chloro-4-propylsulfanylpyridine (CID 63778827) is 2-chloro-4-propylsulfanylpyridine.
What is the SMILES notation for 2-chloro-4-propylsulfanylpyridine?
The canonical SMILES for 2-chloro-4-propylsulfanylpyridine is CCCSc1ccnc(Cl)c1.
What is the InChIKey of 2-chloro-4-propylsulfanylpyridine?
The InChIKey is UDPHQSINPMPNCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNS/c1-2-5-11-7-3-4-10-8(9)6-7/h3-4,6H,2,5H2,1H3.
What are the key properties of 2-chloro-4-propylsulfanylpyridine?
2-chloro-4-propylsulfanylpyridine has a molecular weight of 187.70 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-propylsulfanylpyridine is sourced from PubChem (CID 63778827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).