Se-(3-oxobutyl) pyridine-2-carboselenoate

C10H11NO2Se — CID 58764813

IUPACSe-(3-oxobutyl) pyridine-2-carboselenoate
SMILESCC(=O)CC[Se]C(=O)c1ccccn1
InChIInChI=1S/C10H11NO2Se/c1-8(12)5-7-14-10(13)9-4-2-3-6-11-9/h2-4,6H,5,7H2,1H3
InChIKeyLNBKEVUDPYFTEG-UHFFFAOYSA-N
MW256.16 g/mol
LogP1.32
Rot. Bonds5

About Se-(3-oxobutyl) pyridine-2-carboselenoate

Se-(3-oxobutyl) pyridine-2-carboselenoate (PubChem CID 58764813) has the molecular formula C10H11NO2Se and a molecular weight of 256.16 g/mol. Its IUPAC name is Se-(3-oxobutyl) pyridine-2-carboselenoate.

Molecular Properties

Compound NameSe-(3-oxobutyl) pyridine-2-carboselenoate
PubChem CID58764813
Molecular FormulaC10H11NO2Se
Molecular Weight256.16 g/mol
Exact Mass257.00
IUPAC NameSe-(3-oxobutyl) pyridine-2-carboselenoate
SMILESCC(=O)CC[Se]C(=O)c1ccccn1
InChIInChI=1S/C10H11NO2Se/c1-8(12)5-7-14-10(13)9-4-2-3-6-11-9/h2-4,6H,5,7H2,1H3
InChIKeyLNBKEVUDPYFTEG-UHFFFAOYSA-N
XLogP1.32
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.16
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 12707221
propan-2-one;1-pyridin-2-ylethanone
CID 158043833
1-pyridin-2-ylethanone;dihydrochloride
CID 174550471
3-amino-1-pyridin-2-ylpropan-1-one
CID 45079500
molecular iodine;1-pyridin-2-ylethanone
CID 169427217
5-oxo-2-(pyridine-2-carbonyl)hexanoate
CID 22758234
bicyclo[2.2.0]hexa-1,3,5-triene;1-pyridin-2-ylethanone
CID 22757609
lithium pyridine-2-carbonylazanide
CID 87752623
ethane;pyridine-2-carbonyl chloride
CID 158598971
1-pyridin-2-ylethanone;1-pyridin-2-ylpropan-1-one
CID 89479479
4,4-dimethyl-1-pyridin-2-ylpentan-1-one
CID 62620197
gadolinium;pyridine-2-carboxylic acid
CID 175231422

Frequently Asked Questions

What is the IUPAC name of Se-(3-oxobutyl) pyridine-2-carboselenoate?
The IUPAC name of Se-(3-oxobutyl) pyridine-2-carboselenoate (CID 58764813) is Se-(3-oxobutyl) pyridine-2-carboselenoate.
What is the SMILES notation for Se-(3-oxobutyl) pyridine-2-carboselenoate?
The canonical SMILES for Se-(3-oxobutyl) pyridine-2-carboselenoate is CC(=O)CC[Se]C(=O)c1ccccn1.
What is the InChIKey of Se-(3-oxobutyl) pyridine-2-carboselenoate?
The InChIKey is LNBKEVUDPYFTEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2Se/c1-8(12)5-7-14-10(13)9-4-2-3-6-11-9/h2-4,6H,5,7H2,1H3.
What are the key properties of Se-(3-oxobutyl) pyridine-2-carboselenoate?
Se-(3-oxobutyl) pyridine-2-carboselenoate has a molecular weight of 256.16 g/mol, XLogP of 1.32, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for Se-(3-oxobutyl) pyridine-2-carboselenoate is sourced from PubChem (CID 58764813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).