3-bromo-5-iodopyridine-2-carboximidamide

C6H5BrIN3 — CID 133055702

IUPAC3-bromo-5-iodopyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1ncc(I)cc1Br
InChIInChI=1S/C6H5BrIN3/c7-4-1-3(8)2-11-5(4)6(9)10/h1-2H,(H3,9,10)
InChIKeyXHJCNAMZGSJNGZ-UHFFFAOYSA-N
MW325.94 g/mol
LogP1.73
Rot. Bonds1

About 3-bromo-5-iodopyridine-2-carboximidamide

3-bromo-5-iodopyridine-2-carboximidamide (PubChem CID 133055702) has the molecular formula C6H5BrIN3 and a molecular weight of 325.94 g/mol. Its IUPAC name is 3-bromo-5-iodopyridine-2-carboximidamide.

Molecular Properties

Compound Name3-bromo-5-iodopyridine-2-carboximidamide
PubChem CID133055702
Molecular FormulaC6H5BrIN3
Molecular Weight325.94 g/mol
Exact Mass324.87
IUPAC Name3-bromo-5-iodopyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1ncc(I)cc1Br
InChIInChI=1S/C6H5BrIN3/c7-4-1-3(8)2-11-5(4)6(9)10/h1-2H,(H3,9,10)
InChIKeyXHJCNAMZGSJNGZ-UHFFFAOYSA-N
XLogP1.73
TPSA62.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.94
LogP ≤ 51.73
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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Related Compounds

3,5-diiodopyridine-2-carboximidamide;hydrochloride
CID 133057044
5-iodopyridine-3-carboximidamide
CID 74892022
3,5-dimethylpyridine-2-carboximidamide
CID 112703746
5-bromo-6-methylpyridine-3-carboximidamide
CID 83886236
3,6-dimethylpyrazine-2-carboximidamide;hydrochloride
CID 122129858
3-(2-bromophenyl)sulfanylpyrazine-2-carboximidamide
CID 62685598
2-aminopyrimidine-5-carboximidamide
CID 45080078
3-(3-bromo-4-fluorophenoxy)pyridine-2-carboximidamide
CID 83234285
3-[(2-bromophenyl)methoxymethyl]pyridine-2-carboximidamide
CID 82823385
3-bromo-4-(5-methylpyrimidin-2-yl)sulfanylbenzenecarboximidamide
CID 82799268
3,4-difluoropyridine-2-carboximidamide
CID 137371718
6,7-dibromonaphthalene-2-carboximidamide
CID 121232083

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-iodopyridine-2-carboximidamide?
The IUPAC name of 3-bromo-5-iodopyridine-2-carboximidamide (CID 133055702) is 3-bromo-5-iodopyridine-2-carboximidamide.
What is the SMILES notation for 3-bromo-5-iodopyridine-2-carboximidamide?
The canonical SMILES for 3-bromo-5-iodopyridine-2-carboximidamide is [H]/N=C(\N)c1ncc(I)cc1Br.
What is the InChIKey of 3-bromo-5-iodopyridine-2-carboximidamide?
The InChIKey is XHJCNAMZGSJNGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrIN3/c7-4-1-3(8)2-11-5(4)6(9)10/h1-2H,(H3,9,10).
What are the key properties of 3-bromo-5-iodopyridine-2-carboximidamide?
3-bromo-5-iodopyridine-2-carboximidamide has a molecular weight of 325.94 g/mol, XLogP of 1.73, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-iodopyridine-2-carboximidamide is sourced from PubChem (CID 133055702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).