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

C6H6IN3 — CID 138615130

IUPACN'-(5-iodo-2-pyridinyl)methanimidamide
SMILESN/C=N/c1ccc(I)cn1
InChIInChI=1S/C6H6IN3/c7-5-1-2-6(9-3-5)10-4-8/h1-4H,(H2,8,9,10)
InChIKeyMMZSSMJKUGMGPJ-UHFFFAOYSA-N
MW247.04 g/mol
LogP1.30
Rot. Bonds1

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

N'-(5-iodo-2-pyridinyl)methanimidamide (PubChem CID 138615130) has the molecular formula C6H6IN3 and a molecular weight of 247.04 g/mol. Its IUPAC name is N'-(5-iodo-2-pyridinyl)methanimidamide.

Molecular Properties

Compound NameN'-(5-iodo-2-pyridinyl)methanimidamide
PubChem CID138615130
Molecular FormulaC6H6IN3
Molecular Weight247.04 g/mol
Exact Mass246.96
IUPAC NameN'-(5-iodo-2-pyridinyl)methanimidamide
SMILESN/C=N/c1ccc(I)cn1
InChIInChI=1S/C6H6IN3/c7-5-1-2-6(9-3-5)10-4-8/h1-4H,(H2,8,9,10)
InChIKeyMMZSSMJKUGMGPJ-UHFFFAOYSA-N
XLogP1.30
TPSA51.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.04
LogP ≤ 51.30
H-Bond Donors ≤ 51
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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Related Compounds

(5-iodo-2-pyridinyl)-phenyldiazene
CID 54591553
5-iodopyridin-2-amine
CID 157150642
N'-(6-formyl-5-iodo-2-pyridinyl)methanimidamide
CID 145417463
5-iodopyridin-2-amine;dihydroiodide
CID 139830080
3,4-dibromo-2-[(5-iodo-2-pyridinyl)iminomethyl]-6-methoxyphenol
CID 3419440
ethyl N-[3-hydroxy-2-[(5-iodo-2-pyridinyl)iminomethyl]but-2-enoyl]carbamate
CID 135459590
N-hydroxy-N'-(5-iodo-2-pyridinyl)-2,2-dimethylpropanimidamide
CID 58316723
bis(5-iodopyridin-2-amine);mercury(2+);diiodide;tetrahydroiodide
CID 19048490
2-[(5-iodo-2-pyridinyl)imino]naphthalene-1,4-dione
CID 91213111
methyl N-(5-chloro-2-pyridinyl)methanimidate
CID 20587346
2-(chloromethyl)-5-iodopyridine
CID 58538531
2-[(5-iodo-2-pyridinyl)oxy]ethanamine
CID 134519401

Frequently Asked Questions

What is the IUPAC name of N'-(5-iodo-2-pyridinyl)methanimidamide?
The IUPAC name of N'-(5-iodo-2-pyridinyl)methanimidamide (CID 138615130) is N'-(5-iodo-2-pyridinyl)methanimidamide.
What is the SMILES notation for N'-(5-iodo-2-pyridinyl)methanimidamide?
The canonical SMILES for N'-(5-iodo-2-pyridinyl)methanimidamide is N/C=N/c1ccc(I)cn1.
What is the InChIKey of N'-(5-iodo-2-pyridinyl)methanimidamide?
The InChIKey is MMZSSMJKUGMGPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6IN3/c7-5-1-2-6(9-3-5)10-4-8/h1-4H,(H2,8,9,10).
What are the key properties of N'-(5-iodo-2-pyridinyl)methanimidamide?
N'-(5-iodo-2-pyridinyl)methanimidamide has a molecular weight of 247.04 g/mol, XLogP of 1.30, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-iodo-2-pyridinyl)methanimidamide is sourced from PubChem (CID 138615130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).