2-ethyl-N-iodo-6-oxo-1H-pyridine-4-carboxamide

C8H9IN2O2 — CID 170233626

IUPAC2-ethyl-N-iodo-6-oxo-1H-pyridine-4-carboxamide
SMILESCCc1cc(C(=O)NI)cc(=O)[nH]1
InChIInChI=1S/C8H9IN2O2/c1-2-6-3-5(8(13)11-9)4-7(12)10-6/h3-4H,2H2,1H3,(H,10,12)(H,11,13)
InChIKeyZQGZTGCCSARKEW-UHFFFAOYSA-N
MW292.08 g/mol
LogP1.02
Rot. Bonds2

About 2-ethyl-N-iodo-6-oxo-1H-pyridine-4-carboxamide

2-ethyl-N-iodo-6-oxo-1H-pyridine-4-carboxamide (PubChem CID 170233626) has the molecular formula C8H9IN2O2 and a molecular weight of 292.08 g/mol. Its IUPAC name is 2-ethyl-N-iodo-6-oxo-1H-pyridine-4-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-iodo-6-oxo-1H-pyridine-4-carboxamide
PubChem CID170233626
Molecular FormulaC8H9IN2O2
Molecular Weight292.08 g/mol
Exact Mass291.97
IUPAC Name2-ethyl-N-iodo-6-oxo-1H-pyridine-4-carboxamide
SMILESCCc1cc(C(=O)NI)cc(=O)[nH]1
InChIInChI=1S/C8H9IN2O2/c1-2-6-3-5(8(13)11-9)4-7(12)10-6/h3-4H,2H2,1H3,(H,10,12)(H,11,13)
InChIKeyZQGZTGCCSARKEW-UHFFFAOYSA-N
XLogP1.02
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.08
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-iodo-6-oxo-1H-pyridine-4-carboxamide?
The IUPAC name of 2-ethyl-N-iodo-6-oxo-1H-pyridine-4-carboxamide (CID 170233626) is 2-ethyl-N-iodo-6-oxo-1H-pyridine-4-carboxamide.
What is the SMILES notation for 2-ethyl-N-iodo-6-oxo-1H-pyridine-4-carboxamide?
The canonical SMILES for 2-ethyl-N-iodo-6-oxo-1H-pyridine-4-carboxamide is CCc1cc(C(=O)NI)cc(=O)[nH]1.
What is the InChIKey of 2-ethyl-N-iodo-6-oxo-1H-pyridine-4-carboxamide?
The InChIKey is ZQGZTGCCSARKEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9IN2O2/c1-2-6-3-5(8(13)11-9)4-7(12)10-6/h3-4H,2H2,1H3,(H,10,12)(H,11,13).
What are the key properties of 2-ethyl-N-iodo-6-oxo-1H-pyridine-4-carboxamide?
2-ethyl-N-iodo-6-oxo-1H-pyridine-4-carboxamide has a molecular weight of 292.08 g/mol, XLogP of 1.02, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-iodo-6-oxo-1H-pyridine-4-carboxamide is sourced from PubChem (CID 170233626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).