2-methylselanylpyridin-3-ol

C6H7NOSe — CID 87652336

IUPAC2-methylselanylpyridin-3-ol
SMILESC[Se]c1ncccc1O
InChIInChI=1S/C6H7NOSe/c1-9-6-5(8)3-2-4-7-6/h2-4,8H,1H3
InChIKeyAOTUBKSEKVXYJK-UHFFFAOYSA-N
MW188.09 g/mol
LogP0.16
Rot. Bonds1

About 2-methylselanylpyridin-3-ol

2-methylselanylpyridin-3-ol (PubChem CID 87652336) has the molecular formula C6H7NOSe and a molecular weight of 188.09 g/mol. Its IUPAC name is 2-methylselanylpyridin-3-ol.

Molecular Properties

Compound Name2-methylselanylpyridin-3-ol
PubChem CID87652336
Molecular FormulaC6H7NOSe
Molecular Weight188.09 g/mol
Exact Mass188.97
IUPAC Name2-methylselanylpyridin-3-ol
SMILESC[Se]c1ncccc1O
InChIInChI=1S/C6H7NOSe/c1-9-6-5(8)3-2-4-7-6/h2-4,8H,1H3
InChIKeyAOTUBKSEKVXYJK-UHFFFAOYSA-N
XLogP0.16
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.09
LogP ≤ 50.16
H-Bond Donors ≤ 51
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-methylselanylpyridin-3-ol?
The IUPAC name of 2-methylselanylpyridin-3-ol (CID 87652336) is 2-methylselanylpyridin-3-ol.
What is the SMILES notation for 2-methylselanylpyridin-3-ol?
The canonical SMILES for 2-methylselanylpyridin-3-ol is C[Se]c1ncccc1O.
What is the InChIKey of 2-methylselanylpyridin-3-ol?
The InChIKey is AOTUBKSEKVXYJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NOSe/c1-9-6-5(8)3-2-4-7-6/h2-4,8H,1H3.
What are the key properties of 2-methylselanylpyridin-3-ol?
2-methylselanylpyridin-3-ol has a molecular weight of 188.09 g/mol, XLogP of 0.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylselanylpyridin-3-ol is sourced from PubChem (CID 87652336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).