4-iodopyrimidine-2-carboxamide

C5H4IN3O — CID 133055653

IUPAC4-iodopyrimidine-2-carboxamide
SMILESNC(=O)c1nccc(I)n1
InChIInChI=1S/C5H4IN3O/c6-3-1-2-8-5(9-3)4(7)10/h1-2H,(H2,7,10)
InChIKeyLHNCBMLBPVGHMM-UHFFFAOYSA-N
MW249.01 g/mol
LogP0.18
Rot. Bonds1

About 4-iodopyrimidine-2-carboxamide

4-iodopyrimidine-2-carboxamide (PubChem CID 133055653) has the molecular formula C5H4IN3O and a molecular weight of 249.01 g/mol. Its IUPAC name is 4-iodopyrimidine-2-carboxamide.

Molecular Properties

Compound Name4-iodopyrimidine-2-carboxamide
PubChem CID133055653
Molecular FormulaC5H4IN3O
Molecular Weight249.01 g/mol
Exact Mass248.94
IUPAC Name4-iodopyrimidine-2-carboxamide
SMILESNC(=O)c1nccc(I)n1
InChIInChI=1S/C5H4IN3O/c6-3-1-2-8-5(9-3)4(7)10/h1-2H,(H2,7,10)
InChIKeyLHNCBMLBPVGHMM-UHFFFAOYSA-N
XLogP0.18
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.01
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-iodopyrimidine-2-carboxamide?
The IUPAC name of 4-iodopyrimidine-2-carboxamide (CID 133055653) is 4-iodopyrimidine-2-carboxamide.
What is the SMILES notation for 4-iodopyrimidine-2-carboxamide?
The canonical SMILES for 4-iodopyrimidine-2-carboxamide is NC(=O)c1nccc(I)n1.
What is the InChIKey of 4-iodopyrimidine-2-carboxamide?
The InChIKey is LHNCBMLBPVGHMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4IN3O/c6-3-1-2-8-5(9-3)4(7)10/h1-2H,(H2,7,10).
What are the key properties of 4-iodopyrimidine-2-carboxamide?
4-iodopyrimidine-2-carboxamide has a molecular weight of 249.01 g/mol, XLogP of 0.18, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodopyrimidine-2-carboxamide is sourced from PubChem (CID 133055653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).