sodium 6-methylpyridine-2-selenolate

C6H6NNaSe — CID 101200657

IUPACsodium 6-methylpyridine-2-selenolate
SMILESCc1cccc([Se-])n1.[Na+]
InChIInChI=1S/C6H7NSe.Na/c1-5-3-2-4-6(8)7-5;/h2-4H,1H3,(H,7,8);/q;+1/p-1
InChIKeyQAMMHLOKENVQEM-UHFFFAOYSA-M
MW194.07 g/mol
LogP-2.81
Rot. Bonds

About sodium 6-methylpyridine-2-selenolate

sodium 6-methylpyridine-2-selenolate (PubChem CID 101200657) has the molecular formula C6H6NNaSe and a molecular weight of 194.07 g/mol. Its IUPAC name is sodium 6-methylpyridine-2-selenolate.

Molecular Properties

Compound Namesodium 6-methylpyridine-2-selenolate
PubChem CID101200657
Molecular FormulaC6H6NNaSe
Molecular Weight194.07 g/mol
Exact Mass194.96
IUPAC Namesodium 6-methylpyridine-2-selenolate
SMILESCc1cccc([Se-])n1.[Na+]
InChIInChI=1S/C6H7NSe.Na/c1-5-3-2-4-6(8)7-5;/h2-4H,1H3,(H,7,8);/q;+1/p-1
InChIKeyQAMMHLOKENVQEM-UHFFFAOYSA-M
XLogP-2.81
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.07
LogP ≤ 5-2.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,6-dimethylpyridine;ethane
CID 54453947
2,6-dimethylpyridine;sulfane
CID 134564621
2,10-dimethylazecine
CID 126659012
carbon monoxide;2,6-dimethylpyridine;tungsten
CID 520783
2,6-dimethylpyridine;tetrachlorotitanium
CID 166444625
2,6-dimethylpyridine;trichloroborane
CID 72792978
2-[bis(6-methyl-2-pyridinyl)methyl]-6-methylpyridine
CID 15421087
lithium (6-methyl-2-pyridinyl)azanide
CID 15443376
2-chloro-6-methylpyridine;hydrochloride
CID 22645126
(E)-bis(6-methyl-2-pyridinyl)diazene
CID 134860350
2-methyl-6-propan-2-ylpyridine
CID 12791785
N,N-diethylethanamine;2,6-dimethylpyridine
CID 90016440

Frequently Asked Questions

What is the IUPAC name of sodium 6-methylpyridine-2-selenolate?
The IUPAC name of sodium 6-methylpyridine-2-selenolate (CID 101200657) is sodium 6-methylpyridine-2-selenolate.
What is the SMILES notation for sodium 6-methylpyridine-2-selenolate?
The canonical SMILES for sodium 6-methylpyridine-2-selenolate is Cc1cccc([Se-])n1.[Na+].
What is the InChIKey of sodium 6-methylpyridine-2-selenolate?
The InChIKey is QAMMHLOKENVQEM-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H7NSe.Na/c1-5-3-2-4-6(8)7-5;/h2-4H,1H3,(H,7,8);/q;+1/p-1.
What are the key properties of sodium 6-methylpyridine-2-selenolate?
sodium 6-methylpyridine-2-selenolate has a molecular weight of 194.07 g/mol, XLogP of -2.81, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 6-methylpyridine-2-selenolate is sourced from PubChem (CID 101200657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).