2-(bromomethyl)-3-chloro-5-iodopyridine

C6H4BrClIN — CID 133061012

IUPAC2-(bromomethyl)-3-chloro-5-iodopyridine
SMILESClc1cc(I)cnc1CBr
InChIInChI=1S/C6H4BrClIN/c7-2-6-5(8)1-4(9)3-10-6/h1,3H,2H2
InChIKeyPJUJFAFZHXHMSS-UHFFFAOYSA-N
MW332.37 g/mol
LogP3.23
Rot. Bonds1

About 2-(bromomethyl)-3-chloro-5-iodopyridine

2-(bromomethyl)-3-chloro-5-iodopyridine (PubChem CID 133061012) has the molecular formula C6H4BrClIN and a molecular weight of 332.37 g/mol. Its IUPAC name is 2-(bromomethyl)-3-chloro-5-iodopyridine.

Molecular Properties

Compound Name2-(bromomethyl)-3-chloro-5-iodopyridine
PubChem CID133061012
Molecular FormulaC6H4BrClIN
Molecular Weight332.37 g/mol
Exact Mass330.83
IUPAC Name2-(bromomethyl)-3-chloro-5-iodopyridine
SMILESClc1cc(I)cnc1CBr
InChIInChI=1S/C6H4BrClIN/c7-2-6-5(8)1-4(9)3-10-6/h1,3H,2H2
InChIKeyPJUJFAFZHXHMSS-UHFFFAOYSA-N
XLogP3.23
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.37
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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)-3-chloro-5-iodopyridine?
The IUPAC name of 2-(bromomethyl)-3-chloro-5-iodopyridine (CID 133061012) is 2-(bromomethyl)-3-chloro-5-iodopyridine.
What is the SMILES notation for 2-(bromomethyl)-3-chloro-5-iodopyridine?
The canonical SMILES for 2-(bromomethyl)-3-chloro-5-iodopyridine is Clc1cc(I)cnc1CBr.
What is the InChIKey of 2-(bromomethyl)-3-chloro-5-iodopyridine?
The InChIKey is PJUJFAFZHXHMSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrClIN/c7-2-6-5(8)1-4(9)3-10-6/h1,3H,2H2.
What are the key properties of 2-(bromomethyl)-3-chloro-5-iodopyridine?
2-(bromomethyl)-3-chloro-5-iodopyridine has a molecular weight of 332.37 g/mol, XLogP of 3.23, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-3-chloro-5-iodopyridine is sourced from PubChem (CID 133061012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).