2-pyrimidin-2-ylbenzeneselenol

C10H8N2Se — CID 160591809

IUPAC2-pyrimidin-2-ylbenzeneselenol
SMILES[SeH]c1ccccc1-c1ncccn1
InChIInChI=1S/C10H8N2Se/c13-9-5-2-1-4-8(9)10-11-6-3-7-12-10/h1-7,13H
InChIKeyRDCWCGBTQQYZCB-UHFFFAOYSA-N
MW235.15 g/mol
LogP0.67
Rot. Bonds1

About 2-pyrimidin-2-ylbenzeneselenol

2-pyrimidin-2-ylbenzeneselenol (PubChem CID 160591809) has the molecular formula C10H8N2Se and a molecular weight of 235.15 g/mol. Its IUPAC name is 2-pyrimidin-2-ylbenzeneselenol.

Molecular Properties

Compound Name2-pyrimidin-2-ylbenzeneselenol
PubChem CID160591809
Molecular FormulaC10H8N2Se
Molecular Weight235.15 g/mol
Exact Mass235.99
IUPAC Name2-pyrimidin-2-ylbenzeneselenol
SMILES[SeH]c1ccccc1-c1ncccn1
InChIInChI=1S/C10H8N2Se/c13-9-5-2-1-4-8(9)10-11-6-3-7-12-10/h1-7,13H
InChIKeyRDCWCGBTQQYZCB-UHFFFAOYSA-N
XLogP0.67
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.15
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2-pyrimidin-2-ylbenzeneselenol?
The IUPAC name of 2-pyrimidin-2-ylbenzeneselenol (CID 160591809) is 2-pyrimidin-2-ylbenzeneselenol.
What is the SMILES notation for 2-pyrimidin-2-ylbenzeneselenol?
The canonical SMILES for 2-pyrimidin-2-ylbenzeneselenol is [SeH]c1ccccc1-c1ncccn1.
What is the InChIKey of 2-pyrimidin-2-ylbenzeneselenol?
The InChIKey is RDCWCGBTQQYZCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2Se/c13-9-5-2-1-4-8(9)10-11-6-3-7-12-10/h1-7,13H.
What are the key properties of 2-pyrimidin-2-ylbenzeneselenol?
2-pyrimidin-2-ylbenzeneselenol has a molecular weight of 235.15 g/mol, XLogP of 0.67, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrimidin-2-ylbenzeneselenol is sourced from PubChem (CID 160591809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).