5-iodopyridine-3-carboximidamide

C6H6IN3 — CID 74892022

IUPAC5-iodopyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1cncc(I)c1
InChIInChI=1S/C6H6IN3/c7-5-1-4(6(8)9)2-10-3-5/h1-3H,(H3,8,9)
InChIKeyFGZRPXDOBNQYMZ-UHFFFAOYSA-N
MW247.04 g/mol
LogP0.97
Rot. Bonds1

About 5-iodopyridine-3-carboximidamide

5-iodopyridine-3-carboximidamide (PubChem CID 74892022) has the molecular formula C6H6IN3 and a molecular weight of 247.04 g/mol. Its IUPAC name is 5-iodopyridine-3-carboximidamide.

Molecular Properties

Compound Name5-iodopyridine-3-carboximidamide
PubChem CID74892022
Molecular FormulaC6H6IN3
Molecular Weight247.04 g/mol
Exact Mass246.96
IUPAC Name5-iodopyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1cncc(I)c1
InChIInChI=1S/C6H6IN3/c7-5-1-4(6(8)9)2-10-3-5/h1-3H,(H3,8,9)
InChIKeyFGZRPXDOBNQYMZ-UHFFFAOYSA-N
XLogP0.97
TPSA62.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.04
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-iodopyridine-3-carboximidamide?
The IUPAC name of 5-iodopyridine-3-carboximidamide (CID 74892022) is 5-iodopyridine-3-carboximidamide.
What is the SMILES notation for 5-iodopyridine-3-carboximidamide?
The canonical SMILES for 5-iodopyridine-3-carboximidamide is [H]/N=C(\N)c1cncc(I)c1.
What is the InChIKey of 5-iodopyridine-3-carboximidamide?
The InChIKey is FGZRPXDOBNQYMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6IN3/c7-5-1-4(6(8)9)2-10-3-5/h1-3H,(H3,8,9).
What are the key properties of 5-iodopyridine-3-carboximidamide?
5-iodopyridine-3-carboximidamide has a molecular weight of 247.04 g/mol, XLogP of 0.97, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodopyridine-3-carboximidamide is sourced from PubChem (CID 74892022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).