4-iodo-1-methyl-2H-pyridine-3-carboxamide

C7H9IN2O — CID 18366372

IUPAC4-iodo-1-methyl-2H-pyridine-3-carboxamide
SMILESCN1C=CC(I)=C(C(N)=O)C1
InChIInChI=1S/C7H9IN2O/c1-10-3-2-6(8)5(4-10)7(9)11/h2-3H,4H2,1H3,(H2,9,11)
InChIKeyAVGQBXXNIMOCOD-UHFFFAOYSA-N
MW264.07 g/mol
LogP0.62
Rot. Bonds1

About 4-iodo-1-methyl-2H-pyridine-3-carboxamide

4-iodo-1-methyl-2H-pyridine-3-carboxamide (PubChem CID 18366372) has the molecular formula C7H9IN2O and a molecular weight of 264.07 g/mol. Its IUPAC name is 4-iodo-1-methyl-2H-pyridine-3-carboxamide.

Molecular Properties

Compound Name4-iodo-1-methyl-2H-pyridine-3-carboxamide
PubChem CID18366372
Molecular FormulaC7H9IN2O
Molecular Weight264.07 g/mol
Exact Mass263.98
IUPAC Name4-iodo-1-methyl-2H-pyridine-3-carboxamide
SMILESCN1C=CC(I)=C(C(N)=O)C1
InChIInChI=1S/C7H9IN2O/c1-10-3-2-6(8)5(4-10)7(9)11/h2-3H,4H2,1H3,(H2,9,11)
InChIKeyAVGQBXXNIMOCOD-UHFFFAOYSA-N
XLogP0.62
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.07
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-iodo-1-methyl-2H-pyridine-3-carboxamide?
The IUPAC name of 4-iodo-1-methyl-2H-pyridine-3-carboxamide (CID 18366372) is 4-iodo-1-methyl-2H-pyridine-3-carboxamide.
What is the SMILES notation for 4-iodo-1-methyl-2H-pyridine-3-carboxamide?
The canonical SMILES for 4-iodo-1-methyl-2H-pyridine-3-carboxamide is CN1C=CC(I)=C(C(N)=O)C1.
What is the InChIKey of 4-iodo-1-methyl-2H-pyridine-3-carboxamide?
The InChIKey is AVGQBXXNIMOCOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9IN2O/c1-10-3-2-6(8)5(4-10)7(9)11/h2-3H,4H2,1H3,(H2,9,11).
What are the key properties of 4-iodo-1-methyl-2H-pyridine-3-carboxamide?
4-iodo-1-methyl-2H-pyridine-3-carboxamide has a molecular weight of 264.07 g/mol, XLogP of 0.62, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-1-methyl-2H-pyridine-3-carboxamide is sourced from PubChem (CID 18366372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).