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

C6H3Br2FIN — CID 172578097

IUPAC6-bromo-2-(bromomethyl)-3-fluoro-4-iodopyridine
SMILESFc1c(I)cc(Br)nc1CBr
InChIInChI=1S/C6H3Br2FIN/c7-2-4-6(9)3(10)1-5(8)11-4/h1H,2H2
InChIKeyXDRSNSFQNSLSIU-UHFFFAOYSA-N
MW394.81 g/mol
LogP3.48
Rot. Bonds1

About 6-bromo-2-(bromomethyl)-3-fluoro-4-iodopyridine

6-bromo-2-(bromomethyl)-3-fluoro-4-iodopyridine (PubChem CID 172578097) has the molecular formula C6H3Br2FIN and a molecular weight of 394.81 g/mol. Its IUPAC name is 6-bromo-2-(bromomethyl)-3-fluoro-4-iodopyridine.

Molecular Properties

Compound Name6-bromo-2-(bromomethyl)-3-fluoro-4-iodopyridine
PubChem CID172578097
Molecular FormulaC6H3Br2FIN
Molecular Weight394.81 g/mol
Exact Mass392.77
IUPAC Name6-bromo-2-(bromomethyl)-3-fluoro-4-iodopyridine
SMILESFc1c(I)cc(Br)nc1CBr
InChIInChI=1S/C6H3Br2FIN/c7-2-4-6(9)3(10)1-5(8)11-4/h1H,2H2
InChIKeyXDRSNSFQNSLSIU-UHFFFAOYSA-N
XLogP3.48
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.81
LogP ≤ 53.48
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

6-bromo-2-(bromomethyl)-4-(difluoromethyl)-3-fluoropyridine
CID 130109492
6-bromo-2-(bromomethyl)-3-(difluoromethyl)-4-methylpyridine
CID 130069181
6-bromo-2-(bromomethyl)-3-(difluoromethyl)-4-(trifluoromethyl)pyridine
CID 130070180
2-bromo-1-(bromomethyl)-5-fluoro-3-iodobenzene
CID 131332707
1-bromo-5-(chloromethyl)-2-fluoro-3-iodobenzene
CID 131331850
2-(bromomethyl)-3-fluoro-5-iodopyridine
CID 131051007
2-(bromomethyl)-5-(difluoromethyl)-6-iodopyridin-3-ol
CID 130082625
[6-(difluoromethyl)-3-fluoro-4-iodo-2-pyridinyl]methanamine
CID 118820195
4-bromo-2-(bromomethyl)-3-(difluoromethyl)-6-iodopyridine
CID 130068259
[6-bromo-4-(difluoromethyl)-3-iodo-2-pyridinyl]methanol
CID 130068357
6-bromo-2-(bromomethyl)-4-(difluoromethyl)-3-nitropyridine
CID 130069737
2-[6-bromo-2-(bromomethyl)-3-(difluoromethyl)-4-pyridinyl]acetonitrile
CID 130070222

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(bromomethyl)-3-fluoro-4-iodopyridine?
The IUPAC name of 6-bromo-2-(bromomethyl)-3-fluoro-4-iodopyridine (CID 172578097) is 6-bromo-2-(bromomethyl)-3-fluoro-4-iodopyridine.
What is the SMILES notation for 6-bromo-2-(bromomethyl)-3-fluoro-4-iodopyridine?
The canonical SMILES for 6-bromo-2-(bromomethyl)-3-fluoro-4-iodopyridine is Fc1c(I)cc(Br)nc1CBr.
What is the InChIKey of 6-bromo-2-(bromomethyl)-3-fluoro-4-iodopyridine?
The InChIKey is XDRSNSFQNSLSIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3Br2FIN/c7-2-4-6(9)3(10)1-5(8)11-4/h1H,2H2.
What are the key properties of 6-bromo-2-(bromomethyl)-3-fluoro-4-iodopyridine?
6-bromo-2-(bromomethyl)-3-fluoro-4-iodopyridine has a molecular weight of 394.81 g/mol, XLogP of 3.48, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(bromomethyl)-3-fluoro-4-iodopyridine is sourced from PubChem (CID 172578097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).