2-chloro-6-(2-methylsulfonylethyl)-7,8-dihydro-5H-1,6-naphthyridine

C11H15ClN2O2S — CID 86671273

IUPAC2-chloro-6-(2-methylsulfonylethyl)-7,8-dihydro-5H-1,6-naphthyridine
SMILESCS(=O)(=O)CCN1CCc2nc(Cl)ccc2C1
InChIInChI=1S/C11H15ClN2O2S/c1-17(15,16)7-6-14-5-4-10-9(8-14)2-3-11(12)13-10/h2-3H,4-8H2,1H3
InChIKeyFSOUDANUBRFPFG-UHFFFAOYSA-N
MW274.77 g/mol
LogP1.14
Rot. Bonds3

About 2-chloro-6-(2-methylsulfonylethyl)-7,8-dihydro-5H-1,6-naphthyridine

2-chloro-6-(2-methylsulfonylethyl)-7,8-dihydro-5H-1,6-naphthyridine (PubChem CID 86671273) has the molecular formula C11H15ClN2O2S and a molecular weight of 274.77 g/mol. Its IUPAC name is 2-chloro-6-(2-methylsulfonylethyl)-7,8-dihydro-5H-1,6-naphthyridine.

Molecular Properties

Compound Name2-chloro-6-(2-methylsulfonylethyl)-7,8-dihydro-5H-1,6-naphthyridine
PubChem CID86671273
Molecular FormulaC11H15ClN2O2S
Molecular Weight274.77 g/mol
Exact Mass274.05
IUPAC Name2-chloro-6-(2-methylsulfonylethyl)-7,8-dihydro-5H-1,6-naphthyridine
SMILESCS(=O)(=O)CCN1CCc2nc(Cl)ccc2C1
InChIInChI=1S/C11H15ClN2O2S/c1-17(15,16)7-6-14-5-4-10-9(8-14)2-3-11(12)13-10/h2-3H,4-8H2,1H3
InChIKeyFSOUDANUBRFPFG-UHFFFAOYSA-N
XLogP1.14
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.77
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-6-(2-methylsulfonylethyl)-7,8-dihydro-5H-1,6-naphthyridine?
The IUPAC name of 2-chloro-6-(2-methylsulfonylethyl)-7,8-dihydro-5H-1,6-naphthyridine (CID 86671273) is 2-chloro-6-(2-methylsulfonylethyl)-7,8-dihydro-5H-1,6-naphthyridine.
What is the SMILES notation for 2-chloro-6-(2-methylsulfonylethyl)-7,8-dihydro-5H-1,6-naphthyridine?
The canonical SMILES for 2-chloro-6-(2-methylsulfonylethyl)-7,8-dihydro-5H-1,6-naphthyridine is CS(=O)(=O)CCN1CCc2nc(Cl)ccc2C1.
What is the InChIKey of 2-chloro-6-(2-methylsulfonylethyl)-7,8-dihydro-5H-1,6-naphthyridine?
The InChIKey is FSOUDANUBRFPFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2S/c1-17(15,16)7-6-14-5-4-10-9(8-14)2-3-11(12)13-10/h2-3H,4-8H2,1H3.
What are the key properties of 2-chloro-6-(2-methylsulfonylethyl)-7,8-dihydro-5H-1,6-naphthyridine?
2-chloro-6-(2-methylsulfonylethyl)-7,8-dihydro-5H-1,6-naphthyridine has a molecular weight of 274.77 g/mol, XLogP of 1.14, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(2-methylsulfonylethyl)-7,8-dihydro-5H-1,6-naphthyridine is sourced from PubChem (CID 86671273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).