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

C6H4BrFIN — CID 131051007

IUPAC2-(bromomethyl)-3-fluoro-5-iodopyridine
SMILESFc1cc(I)cnc1CBr
InChIInChI=1S/C6H4BrFIN/c7-2-6-5(8)1-4(9)3-10-6/h1,3H,2H2
InChIKeyLMVXQXGOIZIHNX-UHFFFAOYSA-N
MW315.91 g/mol
LogP2.72
Rot. Bonds1

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

2-(bromomethyl)-3-fluoro-5-iodopyridine (PubChem CID 131051007) has the molecular formula C6H4BrFIN and a molecular weight of 315.91 g/mol. Its IUPAC name is 2-(bromomethyl)-3-fluoro-5-iodopyridine.

Molecular Properties

Compound Name2-(bromomethyl)-3-fluoro-5-iodopyridine
PubChem CID131051007
Molecular FormulaC6H4BrFIN
Molecular Weight315.91 g/mol
Exact Mass314.86
IUPAC Name2-(bromomethyl)-3-fluoro-5-iodopyridine
SMILESFc1cc(I)cnc1CBr
InChIInChI=1S/C6H4BrFIN/c7-2-6-5(8)1-4(9)3-10-6/h1,3H,2H2
InChIKeyLMVXQXGOIZIHNX-UHFFFAOYSA-N
XLogP2.72
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.91
LogP ≤ 52.72
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-fluoro-5-iodopyridine?
The IUPAC name of 2-(bromomethyl)-3-fluoro-5-iodopyridine (CID 131051007) is 2-(bromomethyl)-3-fluoro-5-iodopyridine.
What is the SMILES notation for 2-(bromomethyl)-3-fluoro-5-iodopyridine?
The canonical SMILES for 2-(bromomethyl)-3-fluoro-5-iodopyridine is Fc1cc(I)cnc1CBr.
What is the InChIKey of 2-(bromomethyl)-3-fluoro-5-iodopyridine?
The InChIKey is LMVXQXGOIZIHNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrFIN/c7-2-6-5(8)1-4(9)3-10-6/h1,3H,2H2.
What are the key properties of 2-(bromomethyl)-3-fluoro-5-iodopyridine?
2-(bromomethyl)-3-fluoro-5-iodopyridine has a molecular weight of 315.91 g/mol, XLogP of 2.72, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-3-fluoro-5-iodopyridine is sourced from PubChem (CID 131051007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).