6-tert-butyl-3H-pyridin-3-ide;rubidium(1+)

C9H12NRb — CID 59985787

IUPAC6-tert-butyl-3H-pyridin-3-ide;rubidium(1+)
SMILESCC(C)(C)c1cc[c-]cn1.[Rb+]
InChIInChI=1S/C9H12N.Rb/c1-9(2,3)8-6-4-5-7-10-8;/h4,6-7H,1-3H3;/q-1;+1
InChIKeyUSXOWQITKMBREQ-UHFFFAOYSA-N
MW219.67 g/mol
LogP-0.82
Rot. Bonds

About 6-tert-butyl-3H-pyridin-3-ide;rubidium(1+)

6-tert-butyl-3H-pyridin-3-ide;rubidium(1+) (PubChem CID 59985787) has the molecular formula C9H12NRb and a molecular weight of 219.67 g/mol. Its IUPAC name is 6-tert-butyl-3H-pyridin-3-ide;rubidium(1+).

Molecular Properties

Compound Name6-tert-butyl-3H-pyridin-3-ide;rubidium(1+)
PubChem CID59985787
Molecular FormulaC9H12NRb
Molecular Weight219.67 g/mol
Exact Mass219.01
IUPAC Name6-tert-butyl-3H-pyridin-3-ide;rubidium(1+)
SMILESCC(C)(C)c1cc[c-]cn1.[Rb+]
InChIInChI=1S/C9H12N.Rb/c1-9(2,3)8-6-4-5-7-10-8;/h4,6-7H,1-3H3;/q-1;+1
InChIKeyUSXOWQITKMBREQ-UHFFFAOYSA-N
XLogP-0.82
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.67
LogP ≤ 5-0.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-3H-pyridin-3-ide;rubidium(1+)?
The IUPAC name of 6-tert-butyl-3H-pyridin-3-ide;rubidium(1+) (CID 59985787) is 6-tert-butyl-3H-pyridin-3-ide;rubidium(1+).
What is the SMILES notation for 6-tert-butyl-3H-pyridin-3-ide;rubidium(1+)?
The canonical SMILES for 6-tert-butyl-3H-pyridin-3-ide;rubidium(1+) is CC(C)(C)c1cc[c-]cn1.[Rb+].
What is the InChIKey of 6-tert-butyl-3H-pyridin-3-ide;rubidium(1+)?
The InChIKey is USXOWQITKMBREQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N.Rb/c1-9(2,3)8-6-4-5-7-10-8;/h4,6-7H,1-3H3;/q-1;+1.
What are the key properties of 6-tert-butyl-3H-pyridin-3-ide;rubidium(1+)?
6-tert-butyl-3H-pyridin-3-ide;rubidium(1+) has a molecular weight of 219.67 g/mol, XLogP of -0.82, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-3H-pyridin-3-ide;rubidium(1+) is sourced from PubChem (CID 59985787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).