2-(2,5-dichlorophenyl)sulfanyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile

C15H10Cl2N2S — CID 63537445

IUPAC2-(2,5-dichlorophenyl)sulfanyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
SMILESN#Cc1cc2c(nc1Sc1cc(Cl)ccc1Cl)CCC2
InChIInChI=1S/C15H10Cl2N2S/c16-11-4-5-12(17)14(7-11)20-15-10(8-18)6-9-2-1-3-13(9)19-15/h4-7H,1-3H2
InChIKeyVJVPDPAWRDPKSC-UHFFFAOYSA-N
MW321.23 g/mol
LogP4.90
Rot. Bonds2

About 2-(2,5-dichlorophenyl)sulfanyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile

2-(2,5-dichlorophenyl)sulfanyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile (PubChem CID 63537445) has the molecular formula C15H10Cl2N2S and a molecular weight of 321.23 g/mol. Its IUPAC name is 2-(2,5-dichlorophenyl)sulfanyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(2,5-dichlorophenyl)sulfanyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
PubChem CID63537445
Molecular FormulaC15H10Cl2N2S
Molecular Weight321.23 g/mol
Exact Mass319.99
IUPAC Name2-(2,5-dichlorophenyl)sulfanyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
SMILESN#Cc1cc2c(nc1Sc1cc(Cl)ccc1Cl)CCC2
InChIInChI=1S/C15H10Cl2N2S/c16-11-4-5-12(17)14(7-11)20-15-10(8-18)6-9-2-1-3-13(9)19-15/h4-7H,1-3H2
InChIKeyVJVPDPAWRDPKSC-UHFFFAOYSA-N
XLogP4.90
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.23
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenyl)sulfanyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The IUPAC name of 2-(2,5-dichlorophenyl)sulfanyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile (CID 63537445) is 2-(2,5-dichlorophenyl)sulfanyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile.
What is the SMILES notation for 2-(2,5-dichlorophenyl)sulfanyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The canonical SMILES for 2-(2,5-dichlorophenyl)sulfanyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile is N#Cc1cc2c(nc1Sc1cc(Cl)ccc1Cl)CCC2.
What is the InChIKey of 2-(2,5-dichlorophenyl)sulfanyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The InChIKey is VJVPDPAWRDPKSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N2S/c16-11-4-5-12(17)14(7-11)20-15-10(8-18)6-9-2-1-3-13(9)19-15/h4-7H,1-3H2.
What are the key properties of 2-(2,5-dichlorophenyl)sulfanyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
2-(2,5-dichlorophenyl)sulfanyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile has a molecular weight of 321.23 g/mol, XLogP of 4.90, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenyl)sulfanyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile is sourced from PubChem (CID 63537445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).