2-methylsulfanyl-4-phenyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile

C16H14N2S — CID 845556

IUPAC2-methylsulfanyl-4-phenyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
SMILESCSc1nc2c(c(-c3ccccc3)c1C#N)CCC2
InChIInChI=1S/C16H14N2S/c1-19-16-13(10-17)15(11-6-3-2-4-7-11)12-8-5-9-14(12)18-16/h2-4,6-7H,5,8-9H2,1H3
InChIKeySRIZPHIWYOWZAO-UHFFFAOYSA-N
MW266.37 g/mol
LogP3.83
Rot. Bonds2

About 2-methylsulfanyl-4-phenyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile

2-methylsulfanyl-4-phenyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile (PubChem CID 845556) has the molecular formula C16H14N2S and a molecular weight of 266.37 g/mol. Its IUPAC name is 2-methylsulfanyl-4-phenyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-methylsulfanyl-4-phenyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
PubChem CID845556
Molecular FormulaC16H14N2S
Molecular Weight266.37 g/mol
Exact Mass266.09
IUPAC Name2-methylsulfanyl-4-phenyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
SMILESCSc1nc2c(c(-c3ccccc3)c1C#N)CCC2
InChIInChI=1S/C16H14N2S/c1-19-16-13(10-17)15(11-6-3-2-4-7-11)12-8-5-9-14(12)18-16/h2-4,6-7H,5,8-9H2,1H3
InChIKeySRIZPHIWYOWZAO-UHFFFAOYSA-N
XLogP3.83
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-4-phenyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The IUPAC name of 2-methylsulfanyl-4-phenyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile (CID 845556) is 2-methylsulfanyl-4-phenyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile.
What is the SMILES notation for 2-methylsulfanyl-4-phenyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The canonical SMILES for 2-methylsulfanyl-4-phenyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile is CSc1nc2c(c(-c3ccccc3)c1C#N)CCC2.
What is the InChIKey of 2-methylsulfanyl-4-phenyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
The InChIKey is SRIZPHIWYOWZAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2S/c1-19-16-13(10-17)15(11-6-3-2-4-7-11)12-8-5-9-14(12)18-16/h2-4,6-7H,5,8-9H2,1H3.
What are the key properties of 2-methylsulfanyl-4-phenyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile?
2-methylsulfanyl-4-phenyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile has a molecular weight of 266.37 g/mol, XLogP of 3.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-4-phenyl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile is sourced from PubChem (CID 845556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).