2-(3,4-dichlorophenyl)-6-methylsulfinyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine

C15H13Cl2NO2S — CID 514902

IUPAC2-(3,4-dichlorophenyl)-6-methylsulfinyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine
SMILESCS(=O)c1cnc2c(c1)CCC(c1ccc(Cl)c(Cl)c1)O2
InChIInChI=1S/C15H13Cl2NO2S/c1-21(19)11-6-10-3-5-14(20-15(10)18-8-11)9-2-4-12(16)13(17)7-9/h2,4,6-8,14H,3,5H2,1H3
InChIKeyMYBDTGDPCIIJEQ-UHFFFAOYSA-N
MW342.25 g/mol
LogP4.19
Rot. Bonds2

About 2-(3,4-dichlorophenyl)-6-methylsulfinyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine

2-(3,4-dichlorophenyl)-6-methylsulfinyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine (PubChem CID 514902) has the molecular formula C15H13Cl2NO2S and a molecular weight of 342.25 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-6-methylsulfinyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-6-methylsulfinyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine
PubChem CID514902
Molecular FormulaC15H13Cl2NO2S
Molecular Weight342.25 g/mol
Exact Mass341.00
IUPAC Name2-(3,4-dichlorophenyl)-6-methylsulfinyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine
SMILESCS(=O)c1cnc2c(c1)CCC(c1ccc(Cl)c(Cl)c1)O2
InChIInChI=1S/C15H13Cl2NO2S/c1-21(19)11-6-10-3-5-14(20-15(10)18-8-11)9-2-4-12(16)13(17)7-9/h2,4,6-8,14H,3,5H2,1H3
InChIKeyMYBDTGDPCIIJEQ-UHFFFAOYSA-N
XLogP4.19
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.25
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Mdl 20646
CID 128207
Mdl 20610
CID 128209
2H-Pyrano(2,3-b)pyridine, 6-chloro-2-(3,4-dichlorophenyl)-3,4-dihydro-2-methyl-
CID 514911
Mdl 20957
CID 128208
6-chloro-2-(4-chlorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine
CID 514897
2H-Pyrano(2,3-b)pyridine, 2-(4-chlorophenyl)-3,4-dihydro-6-(methylsulfonyl)-
CID 514903
2-(3,4-dichlorophenyl)-3,4-dihydro-2H-pyrano[2,3-b]pyridine
CID 514904
2-(3,4-Dichlorophenyl)-3,4-dihydro-6-(methylthio)-2h-pyrano[2,3-b]pyridine
CID 514906
2H-Pyrano(2,3-b)pyridine, 6-(butylthio)-2-(3,4-dichlorophenyl)-3,4-dihydro-
CID 514905
2-(4-Chloro-benzyloxy)-3-(4-methanesulfonyl-phenyl)-5-trifluoromethyl-pyridine
CID 44292819
2H-Pyrano(2,3-b)pyridine, 3,4-dihydro-6-(methylsulfonyl)-2-phenyl-
CID 514901
3-(3-Chloro-6-ethoxy-2-fluorophenyl)-5-methylsulfonylpyridine
CID 173380014

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-6-methylsulfinyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine?
The IUPAC name of 2-(3,4-dichlorophenyl)-6-methylsulfinyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine (CID 514902) is 2-(3,4-dichlorophenyl)-6-methylsulfinyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-6-methylsulfinyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine?
The canonical SMILES for 2-(3,4-dichlorophenyl)-6-methylsulfinyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine is CS(=O)c1cnc2c(c1)CCC(c1ccc(Cl)c(Cl)c1)O2.
What is the InChIKey of 2-(3,4-dichlorophenyl)-6-methylsulfinyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine?
The InChIKey is MYBDTGDPCIIJEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2NO2S/c1-21(19)11-6-10-3-5-14(20-15(10)18-8-11)9-2-4-12(16)13(17)7-9/h2,4,6-8,14H,3,5H2,1H3.
What are the key properties of 2-(3,4-dichlorophenyl)-6-methylsulfinyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine?
2-(3,4-dichlorophenyl)-6-methylsulfinyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine has a molecular weight of 342.25 g/mol, XLogP of 4.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-6-methylsulfinyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine is sourced from PubChem (CID 514902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).