2,6-ditert-butyl-5H-cyclopenta[c]pyridin-2-ium

C16H24N+ — CID 158636929

IUPAC2,6-ditert-butyl-5H-cyclopenta[c]pyridin-2-ium
SMILESCC(C)(C)C1=Cc2c[n+](C(C)(C)C)ccc2C1
InChIInChI=1S/C16H24N/c1-15(2,3)14-9-12-7-8-17(16(4,5)6)11-13(12)10-14/h7-8,10-11H,9H2,1-6H3/q+1
InChIKeyOHJCDRJJRHPJKR-UHFFFAOYSA-N
MW230.37 g/mol
LogP3.71
Rot. Bonds

About 2,6-ditert-butyl-5H-cyclopenta[c]pyridin-2-ium

2,6-ditert-butyl-5H-cyclopenta[c]pyridin-2-ium (PubChem CID 158636929) has the molecular formula C16H24N+ and a molecular weight of 230.37 g/mol. Its IUPAC name is 2,6-ditert-butyl-5H-cyclopenta[c]pyridin-2-ium.

Molecular Properties

Compound Name2,6-ditert-butyl-5H-cyclopenta[c]pyridin-2-ium
PubChem CID158636929
Molecular FormulaC16H24N+
Molecular Weight230.37 g/mol
Exact Mass230.19
IUPAC Name2,6-ditert-butyl-5H-cyclopenta[c]pyridin-2-ium
SMILESCC(C)(C)C1=Cc2c[n+](C(C)(C)C)ccc2C1
InChIInChI=1S/C16H24N/c1-15(2,3)14-9-12-7-8-17(16(4,5)6)11-13(12)10-14/h7-8,10-11H,9H2,1-6H3/q+1
InChIKeyOHJCDRJJRHPJKR-UHFFFAOYSA-N
XLogP3.71
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.37
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,6-ditert-butyl-5H-cyclopenta[c]pyridin-2-ium?
The IUPAC name of 2,6-ditert-butyl-5H-cyclopenta[c]pyridin-2-ium (CID 158636929) is 2,6-ditert-butyl-5H-cyclopenta[c]pyridin-2-ium.
What is the SMILES notation for 2,6-ditert-butyl-5H-cyclopenta[c]pyridin-2-ium?
The canonical SMILES for 2,6-ditert-butyl-5H-cyclopenta[c]pyridin-2-ium is CC(C)(C)C1=Cc2c[n+](C(C)(C)C)ccc2C1.
What is the InChIKey of 2,6-ditert-butyl-5H-cyclopenta[c]pyridin-2-ium?
The InChIKey is OHJCDRJJRHPJKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N/c1-15(2,3)14-9-12-7-8-17(16(4,5)6)11-13(12)10-14/h7-8,10-11H,9H2,1-6H3/q+1.
What are the key properties of 2,6-ditert-butyl-5H-cyclopenta[c]pyridin-2-ium?
2,6-ditert-butyl-5H-cyclopenta[c]pyridin-2-ium has a molecular weight of 230.37 g/mol, XLogP of 3.71, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-ditert-butyl-5H-cyclopenta[c]pyridin-2-ium is sourced from PubChem (CID 158636929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).