3-(bromomethyl)-4-fluoro-2-iodopyridine

C6H4BrFIN — CID 130935790

IUPAC3-(bromomethyl)-4-fluoro-2-iodopyridine
SMILESFc1ccnc(I)c1CBr
InChIInChI=1S/C6H4BrFIN/c7-3-4-5(8)1-2-10-6(4)9/h1-2H,3H2
InChIKeyAXHTZVFDEXFAIV-UHFFFAOYSA-N
MW315.91 g/mol
LogP2.72
Rot. Bonds1

About 3-(bromomethyl)-4-fluoro-2-iodopyridine

3-(bromomethyl)-4-fluoro-2-iodopyridine (PubChem CID 130935790) has the molecular formula C6H4BrFIN and a molecular weight of 315.91 g/mol. Its IUPAC name is 3-(bromomethyl)-4-fluoro-2-iodopyridine.

Molecular Properties

Compound Name3-(bromomethyl)-4-fluoro-2-iodopyridine
PubChem CID130935790
Molecular FormulaC6H4BrFIN
Molecular Weight315.91 g/mol
Exact Mass314.86
IUPAC Name3-(bromomethyl)-4-fluoro-2-iodopyridine
SMILESFc1ccnc(I)c1CBr
InChIInChI=1S/C6H4BrFIN/c7-3-4-5(8)1-2-10-6(4)9/h1-2H,3H2
InChIKeyAXHTZVFDEXFAIV-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': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

3-bromo-4-fluoro-2-iodopyridine
CID 130632617
3,4-difluoro-2-iodopyridine
CID 129282241
2,3-bis(bromomethyl)-1,4-difluorobenzene
CID 59382290
3-(bromomethyl)-5-(difluoromethyl)-4-fluoro-2-iodopyridine
CID 130080023
2-(bromomethyl)-1,3-difluorobenzene;hydrochloride
CID 175540499
2-(bromomethyl)-1,3-difluoro-5-iodobenzene
CID 131263559
2-(bromomethyl)-1,3-difluorobenzene;ethene
CID 178142068
3-(fluoromethyl)-2-iodo-4-(trifluoromethyl)pyridine
CID 130864281
4-(bromomethyl)-3-fluoro-5-iodopyridine
CID 130881845
1,2-bis(bromomethyl)-3-fluorobenzene
CID 14111600
4-(bromomethyl)-5-fluoro-1H-benzimidazole
CID 130770591
3-(bromomethyl)-2-fluoro-4-(trifluoromethoxy)pyridine
CID 130092114

Frequently Asked Questions

What is the IUPAC name of 3-(bromomethyl)-4-fluoro-2-iodopyridine?
The IUPAC name of 3-(bromomethyl)-4-fluoro-2-iodopyridine (CID 130935790) is 3-(bromomethyl)-4-fluoro-2-iodopyridine.
What is the SMILES notation for 3-(bromomethyl)-4-fluoro-2-iodopyridine?
The canonical SMILES for 3-(bromomethyl)-4-fluoro-2-iodopyridine is Fc1ccnc(I)c1CBr.
What is the InChIKey of 3-(bromomethyl)-4-fluoro-2-iodopyridine?
The InChIKey is AXHTZVFDEXFAIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrFIN/c7-3-4-5(8)1-2-10-6(4)9/h1-2H,3H2.
What are the key properties of 3-(bromomethyl)-4-fluoro-2-iodopyridine?
3-(bromomethyl)-4-fluoro-2-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 3-(bromomethyl)-4-fluoro-2-iodopyridine is sourced from PubChem (CID 130935790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).