1-tert-butylpyridine-4-selone

C9H13NSe — CID 15398707

IUPAC1-tert-butylpyridine-4-selone
SMILESCC(C)(C)n1ccc(=[Se])cc1
InChIInChI=1S/C9H13NSe/c1-9(2,3)10-6-4-8(11)5-7-10/h4-7H,1-3H3
InChIKeyCWVINRPEXSCSRG-UHFFFAOYSA-N
MW214.17 g/mol
LogP1.94
Rot. Bonds

About 1-tert-butylpyridine-4-selone

1-tert-butylpyridine-4-selone (PubChem CID 15398707) has the molecular formula C9H13NSe and a molecular weight of 214.17 g/mol. Its IUPAC name is 1-tert-butylpyridine-4-selone.

Molecular Properties

Compound Name1-tert-butylpyridine-4-selone
PubChem CID15398707
Molecular FormulaC9H13NSe
Molecular Weight214.17 g/mol
Exact Mass215.02
IUPAC Name1-tert-butylpyridine-4-selone
SMILESCC(C)(C)n1ccc(=[Se])cc1
InChIInChI=1S/C9H13NSe/c1-9(2,3)10-6-4-8(11)5-7-10/h4-7H,1-3H3
InChIKeyCWVINRPEXSCSRG-UHFFFAOYSA-N
XLogP1.94
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.17
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butylpyridine-4-selone?
The IUPAC name of 1-tert-butylpyridine-4-selone (CID 15398707) is 1-tert-butylpyridine-4-selone.
What is the SMILES notation for 1-tert-butylpyridine-4-selone?
The canonical SMILES for 1-tert-butylpyridine-4-selone is CC(C)(C)n1ccc(=[Se])cc1.
What is the InChIKey of 1-tert-butylpyridine-4-selone?
The InChIKey is CWVINRPEXSCSRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NSe/c1-9(2,3)10-6-4-8(11)5-7-10/h4-7H,1-3H3.
What are the key properties of 1-tert-butylpyridine-4-selone?
1-tert-butylpyridine-4-selone has a molecular weight of 214.17 g/mol, XLogP of 1.94, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylpyridine-4-selone is sourced from PubChem (CID 15398707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).