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

C15H13Cl2NOS — CID 514906

IUPAC2-(3,4-dichlorophenyl)-6-methylsulfanyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine
SMILESCSc1cnc2c(c1)CCC(c1ccc(Cl)c(Cl)c1)O2
InChIInChI=1S/C15H13Cl2NOS/c1-20-11-6-10-3-5-14(19-15(10)18-8-11)9-2-4-12(16)13(17)7-9/h2,4,6-8,14H,3,5H2,1H3
InChIKeyWMHPSBWSQPFYCF-UHFFFAOYSA-N
MW326.25 g/mol
LogP5.18
Rot. Bonds2

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

2-(3,4-dichlorophenyl)-6-methylsulfanyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine (PubChem CID 514906) has the molecular formula C15H13Cl2NOS and a molecular weight of 326.25 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-6-methylsulfanyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-6-methylsulfanyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine
PubChem CID514906
Molecular FormulaC15H13Cl2NOS
Molecular Weight326.25 g/mol
Exact Mass325.01
IUPAC Name2-(3,4-dichlorophenyl)-6-methylsulfanyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine
SMILESCSc1cnc2c(c1)CCC(c1ccc(Cl)c(Cl)c1)O2
InChIInChI=1S/C15H13Cl2NOS/c1-20-11-6-10-3-5-14(19-15(10)18-8-11)9-2-4-12(16)13(17)7-9/h2,4,6-8,14H,3,5H2,1H3
InChIKeyWMHPSBWSQPFYCF-UHFFFAOYSA-N
XLogP5.18
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.25
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-6-methylsulfanyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine?
The IUPAC name of 2-(3,4-dichlorophenyl)-6-methylsulfanyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine (CID 514906) is 2-(3,4-dichlorophenyl)-6-methylsulfanyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-6-methylsulfanyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine?
The canonical SMILES for 2-(3,4-dichlorophenyl)-6-methylsulfanyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine is CSc1cnc2c(c1)CCC(c1ccc(Cl)c(Cl)c1)O2.
What is the InChIKey of 2-(3,4-dichlorophenyl)-6-methylsulfanyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine?
The InChIKey is WMHPSBWSQPFYCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2NOS/c1-20-11-6-10-3-5-14(19-15(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-methylsulfanyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine?
2-(3,4-dichlorophenyl)-6-methylsulfanyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine has a molecular weight of 326.25 g/mol, XLogP of 5.18, 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-methylsulfanyl-3,4-dihydro-2H-pyrano[2,3-b]pyridine is sourced from PubChem (CID 514906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).