2,6-dichloro-4-(1-methylsulfonylcyclopropyl)pyridine

C9H9Cl2NO2S — CID 138688223

IUPAC2,6-dichloro-4-(1-methylsulfonylcyclopropyl)pyridine
SMILESCS(=O)(=O)C1(c2cc(Cl)nc(Cl)c2)CC1
InChIInChI=1S/C9H9Cl2NO2S/c1-15(13,14)9(2-3-9)6-4-7(10)12-8(11)5-6/h4-5H,2-3H2,1H3
InChIKeyNGZKLSDWRUNPGK-UHFFFAOYSA-N
MW266.15 g/mol
LogP2.42
Rot. Bonds2

About 2,6-dichloro-4-(1-methylsulfonylcyclopropyl)pyridine

2,6-dichloro-4-(1-methylsulfonylcyclopropyl)pyridine (PubChem CID 138688223) has the molecular formula C9H9Cl2NO2S and a molecular weight of 266.15 g/mol. Its IUPAC name is 2,6-dichloro-4-(1-methylsulfonylcyclopropyl)pyridine.

Molecular Properties

Compound Name2,6-dichloro-4-(1-methylsulfonylcyclopropyl)pyridine
PubChem CID138688223
Molecular FormulaC9H9Cl2NO2S
Molecular Weight266.15 g/mol
Exact Mass264.97
IUPAC Name2,6-dichloro-4-(1-methylsulfonylcyclopropyl)pyridine
SMILESCS(=O)(=O)C1(c2cc(Cl)nc(Cl)c2)CC1
InChIInChI=1S/C9H9Cl2NO2S/c1-15(13,14)9(2-3-9)6-4-7(10)12-8(11)5-6/h4-5H,2-3H2,1H3
InChIKeyNGZKLSDWRUNPGK-UHFFFAOYSA-N
XLogP2.42
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.15
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,6-dichloro-4-(1-methylsulfonylcyclopropyl)pyridine 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 2,6-dichloro-4-(1-methylsulfonylcyclopropyl)pyridine?
The IUPAC name of 2,6-dichloro-4-(1-methylsulfonylcyclopropyl)pyridine (CID 138688223) is 2,6-dichloro-4-(1-methylsulfonylcyclopropyl)pyridine.
What is the SMILES notation for 2,6-dichloro-4-(1-methylsulfonylcyclopropyl)pyridine?
The canonical SMILES for 2,6-dichloro-4-(1-methylsulfonylcyclopropyl)pyridine is CS(=O)(=O)C1(c2cc(Cl)nc(Cl)c2)CC1.
What is the InChIKey of 2,6-dichloro-4-(1-methylsulfonylcyclopropyl)pyridine?
The InChIKey is NGZKLSDWRUNPGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2NO2S/c1-15(13,14)9(2-3-9)6-4-7(10)12-8(11)5-6/h4-5H,2-3H2,1H3.
What are the key properties of 2,6-dichloro-4-(1-methylsulfonylcyclopropyl)pyridine?
2,6-dichloro-4-(1-methylsulfonylcyclopropyl)pyridine has a molecular weight of 266.15 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-(1-methylsulfonylcyclopropyl)pyridine is sourced from PubChem (CID 138688223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).