1-ethyl-6-oxopyridine-3-carbonyl iodide

C8H8INO2 — CID 130257272

IUPAC1-ethyl-6-oxopyridine-3-carbonyl iodide
SMILESCCn1cc(C(=O)I)ccc1=O
InChIInChI=1S/C8H8INO2/c1-2-10-5-6(8(9)12)3-4-7(10)11/h3-5H,2H2,1H3
InChIKeyYTXWANPAWKFNRV-UHFFFAOYSA-N
MW277.06 g/mol
LogP1.44
Rot. Bonds2

About 1-ethyl-6-oxopyridine-3-carbonyl iodide

1-ethyl-6-oxopyridine-3-carbonyl iodide (PubChem CID 130257272) has the molecular formula C8H8INO2 and a molecular weight of 277.06 g/mol. Its IUPAC name is 1-ethyl-6-oxopyridine-3-carbonyl iodide.

Molecular Properties

Compound Name1-ethyl-6-oxopyridine-3-carbonyl iodide
PubChem CID130257272
Molecular FormulaC8H8INO2
Molecular Weight277.06 g/mol
Exact Mass276.96
IUPAC Name1-ethyl-6-oxopyridine-3-carbonyl iodide
SMILESCCn1cc(C(=O)I)ccc1=O
InChIInChI=1S/C8H8INO2/c1-2-10-5-6(8(9)12)3-4-7(10)11/h3-5H,2H2,1H3
InChIKeyYTXWANPAWKFNRV-UHFFFAOYSA-N
XLogP1.44
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.06
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-oxopyridine-3-carbonyl iodide?
The IUPAC name of 1-ethyl-6-oxopyridine-3-carbonyl iodide (CID 130257272) is 1-ethyl-6-oxopyridine-3-carbonyl iodide.
What is the SMILES notation for 1-ethyl-6-oxopyridine-3-carbonyl iodide?
The canonical SMILES for 1-ethyl-6-oxopyridine-3-carbonyl iodide is CCn1cc(C(=O)I)ccc1=O.
What is the InChIKey of 1-ethyl-6-oxopyridine-3-carbonyl iodide?
The InChIKey is YTXWANPAWKFNRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8INO2/c1-2-10-5-6(8(9)12)3-4-7(10)11/h3-5H,2H2,1H3.
What are the key properties of 1-ethyl-6-oxopyridine-3-carbonyl iodide?
1-ethyl-6-oxopyridine-3-carbonyl iodide has a molecular weight of 277.06 g/mol, XLogP of 1.44, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-oxopyridine-3-carbonyl iodide is sourced from PubChem (CID 130257272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).