3-iodo-4-(iodomethyl)pyridin-2-amine

C6H6I2N2 — CID 118657346

IUPAC3-iodo-4-(iodomethyl)pyridin-2-amine
SMILESNc1nccc(CI)c1I
InChIInChI=1S/C6H6I2N2/c7-3-4-1-2-10-6(9)5(4)8/h1-2H,3H2,(H2,9,10)
InChIKeyUMLCGZALQNYOPT-UHFFFAOYSA-N
MW359.94 g/mol
LogP2.20
Rot. Bonds1

About 3-iodo-4-(iodomethyl)pyridin-2-amine

3-iodo-4-(iodomethyl)pyridin-2-amine (PubChem CID 118657346) has the molecular formula C6H6I2N2 and a molecular weight of 359.94 g/mol. Its IUPAC name is 3-iodo-4-(iodomethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-iodo-4-(iodomethyl)pyridin-2-amine
PubChem CID118657346
Molecular FormulaC6H6I2N2
Molecular Weight359.94 g/mol
Exact Mass359.86
IUPAC Name3-iodo-4-(iodomethyl)pyridin-2-amine
SMILESNc1nccc(CI)c1I
InChIInChI=1S/C6H6I2N2/c7-3-4-1-2-10-6(9)5(4)8/h1-2H,3H2,(H2,9,10)
InChIKeyUMLCGZALQNYOPT-UHFFFAOYSA-N
XLogP2.20
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.94
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-iodo-4-(iodomethyl)pyridin-2-amine?
The IUPAC name of 3-iodo-4-(iodomethyl)pyridin-2-amine (CID 118657346) is 3-iodo-4-(iodomethyl)pyridin-2-amine.
What is the SMILES notation for 3-iodo-4-(iodomethyl)pyridin-2-amine?
The canonical SMILES for 3-iodo-4-(iodomethyl)pyridin-2-amine is Nc1nccc(CI)c1I.
What is the InChIKey of 3-iodo-4-(iodomethyl)pyridin-2-amine?
The InChIKey is UMLCGZALQNYOPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6I2N2/c7-3-4-1-2-10-6(9)5(4)8/h1-2H,3H2,(H2,9,10).
What are the key properties of 3-iodo-4-(iodomethyl)pyridin-2-amine?
3-iodo-4-(iodomethyl)pyridin-2-amine has a molecular weight of 359.94 g/mol, XLogP of 2.20, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-4-(iodomethyl)pyridin-2-amine is sourced from PubChem (CID 118657346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).