3-chloro-2-fluoro-5-methylsulfonylpyridine

C6H5ClFNO2S — CID 177006540

IUPAC3-chloro-2-fluoro-5-methylsulfonylpyridine
SMILESCS(=O)(=O)c1cnc(F)c(Cl)c1
InChIInChI=1S/C6H5ClFNO2S/c1-12(10,11)4-2-5(7)6(8)9-3-4/h2-3H,1H3
InChIKeyCKJWWGSAJAHFCT-UHFFFAOYSA-N
MW209.63 g/mol
LogP1.28
Rot. Bonds1

About 3-chloro-2-fluoro-5-methylsulfonylpyridine

3-chloro-2-fluoro-5-methylsulfonylpyridine (PubChem CID 177006540) has the molecular formula C6H5ClFNO2S and a molecular weight of 209.63 g/mol. Its IUPAC name is 3-chloro-2-fluoro-5-methylsulfonylpyridine.

Molecular Properties

Compound Name3-chloro-2-fluoro-5-methylsulfonylpyridine
PubChem CID177006540
Molecular FormulaC6H5ClFNO2S
Molecular Weight209.63 g/mol
Exact Mass208.97
IUPAC Name3-chloro-2-fluoro-5-methylsulfonylpyridine
SMILESCS(=O)(=O)c1cnc(F)c(Cl)c1
InChIInChI=1S/C6H5ClFNO2S/c1-12(10,11)4-2-5(7)6(8)9-3-4/h2-3H,1H3
InChIKeyCKJWWGSAJAHFCT-UHFFFAOYSA-N
XLogP1.28
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.63
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 3-chloro-2-fluoro-5-methylsulfonylpyridine?
The IUPAC name of 3-chloro-2-fluoro-5-methylsulfonylpyridine (CID 177006540) is 3-chloro-2-fluoro-5-methylsulfonylpyridine.
What is the SMILES notation for 3-chloro-2-fluoro-5-methylsulfonylpyridine?
The canonical SMILES for 3-chloro-2-fluoro-5-methylsulfonylpyridine is CS(=O)(=O)c1cnc(F)c(Cl)c1.
What is the InChIKey of 3-chloro-2-fluoro-5-methylsulfonylpyridine?
The InChIKey is CKJWWGSAJAHFCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClFNO2S/c1-12(10,11)4-2-5(7)6(8)9-3-4/h2-3H,1H3.
What are the key properties of 3-chloro-2-fluoro-5-methylsulfonylpyridine?
3-chloro-2-fluoro-5-methylsulfonylpyridine has a molecular weight of 209.63 g/mol, XLogP of 1.28, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-fluoro-5-methylsulfonylpyridine is sourced from PubChem (CID 177006540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).