N'-(6-formyl-5-iodo-2-pyridinyl)methanimidamide

C7H6IN3O — CID 145417463

IUPACN'-(6-formyl-5-iodo-2-pyridinyl)methanimidamide
SMILESN/C=N/c1ccc(I)c(C=O)n1
InChIInChI=1S/C7H6IN3O/c8-5-1-2-7(10-4-9)11-6(5)3-12/h1-4H,(H2,9,10,11)
InChIKeyZKDJMEULTDYZJL-UHFFFAOYSA-N
MW275.05 g/mol
LogP1.12
Rot. Bonds2

About N'-(6-formyl-5-iodo-2-pyridinyl)methanimidamide

N'-(6-formyl-5-iodo-2-pyridinyl)methanimidamide (PubChem CID 145417463) has the molecular formula C7H6IN3O and a molecular weight of 275.05 g/mol. Its IUPAC name is N'-(6-formyl-5-iodo-2-pyridinyl)methanimidamide.

Molecular Properties

Compound NameN'-(6-formyl-5-iodo-2-pyridinyl)methanimidamide
PubChem CID145417463
Molecular FormulaC7H6IN3O
Molecular Weight275.05 g/mol
Exact Mass274.96
IUPAC NameN'-(6-formyl-5-iodo-2-pyridinyl)methanimidamide
SMILESN/C=N/c1ccc(I)c(C=O)n1
InChIInChI=1S/C7H6IN3O/c8-5-1-2-7(10-4-9)11-6(5)3-12/h1-4H,(H2,9,10,11)
InChIKeyZKDJMEULTDYZJL-UHFFFAOYSA-N
XLogP1.12
TPSA68.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.05
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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 N'-(6-formyl-5-iodo-2-pyridinyl)methanimidamide?
The IUPAC name of N'-(6-formyl-5-iodo-2-pyridinyl)methanimidamide (CID 145417463) is N'-(6-formyl-5-iodo-2-pyridinyl)methanimidamide.
What is the SMILES notation for N'-(6-formyl-5-iodo-2-pyridinyl)methanimidamide?
The canonical SMILES for N'-(6-formyl-5-iodo-2-pyridinyl)methanimidamide is N/C=N/c1ccc(I)c(C=O)n1.
What is the InChIKey of N'-(6-formyl-5-iodo-2-pyridinyl)methanimidamide?
The InChIKey is ZKDJMEULTDYZJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6IN3O/c8-5-1-2-7(10-4-9)11-6(5)3-12/h1-4H,(H2,9,10,11).
What are the key properties of N'-(6-formyl-5-iodo-2-pyridinyl)methanimidamide?
N'-(6-formyl-5-iodo-2-pyridinyl)methanimidamide has a molecular weight of 275.05 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(6-formyl-5-iodo-2-pyridinyl)methanimidamide is sourced from PubChem (CID 145417463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).