2-(bromomethyl)-5-iodopyridin-3-amine

C6H6BrIN2 — CID 133057818

IUPAC2-(bromomethyl)-5-iodopyridin-3-amine
SMILESNc1cc(I)cnc1CBr
InChIInChI=1S/C6H6BrIN2/c7-2-6-5(9)1-4(8)3-10-6/h1,3H,2,9H2
InChIKeyBKDRGIGGCGZXMO-UHFFFAOYSA-N
MW312.94 g/mol
LogP2.16
Rot. Bonds1

About 2-(bromomethyl)-5-iodopyridin-3-amine

2-(bromomethyl)-5-iodopyridin-3-amine (PubChem CID 133057818) has the molecular formula C6H6BrIN2 and a molecular weight of 312.94 g/mol. Its IUPAC name is 2-(bromomethyl)-5-iodopyridin-3-amine.

Molecular Properties

Compound Name2-(bromomethyl)-5-iodopyridin-3-amine
PubChem CID133057818
Molecular FormulaC6H6BrIN2
Molecular Weight312.94 g/mol
Exact Mass311.88
IUPAC Name2-(bromomethyl)-5-iodopyridin-3-amine
SMILESNc1cc(I)cnc1CBr
InChIInChI=1S/C6H6BrIN2/c7-2-6-5(9)1-4(8)3-10-6/h1,3H,2,9H2
InChIKeyBKDRGIGGCGZXMO-UHFFFAOYSA-N
XLogP2.16
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.94
LogP ≤ 52.16
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 2-(bromomethyl)-5-iodopyridin-3-amine?
The IUPAC name of 2-(bromomethyl)-5-iodopyridin-3-amine (CID 133057818) is 2-(bromomethyl)-5-iodopyridin-3-amine.
What is the SMILES notation for 2-(bromomethyl)-5-iodopyridin-3-amine?
The canonical SMILES for 2-(bromomethyl)-5-iodopyridin-3-amine is Nc1cc(I)cnc1CBr.
What is the InChIKey of 2-(bromomethyl)-5-iodopyridin-3-amine?
The InChIKey is BKDRGIGGCGZXMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6BrIN2/c7-2-6-5(9)1-4(8)3-10-6/h1,3H,2,9H2.
What are the key properties of 2-(bromomethyl)-5-iodopyridin-3-amine?
2-(bromomethyl)-5-iodopyridin-3-amine has a molecular weight of 312.94 g/mol, XLogP of 2.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-5-iodopyridin-3-amine is sourced from PubChem (CID 133057818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).