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

C7H4BrF3IN — CID 130080004

IUPAC6-(bromomethyl)-3-(difluoromethyl)-4-fluoro-2-iodopyridine
SMILESFc1cc(CBr)nc(I)c1C(F)F
InChIInChI=1S/C7H4BrF3IN/c8-2-3-1-4(9)5(6(10)11)7(12)13-3/h1,6H,2H2
InChIKeyXBHYJBXNCSIQKN-UHFFFAOYSA-N
MW365.92 g/mol
LogP3.66
Rot. Bonds2

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

6-(bromomethyl)-3-(difluoromethyl)-4-fluoro-2-iodopyridine (PubChem CID 130080004) has the molecular formula C7H4BrF3IN and a molecular weight of 365.92 g/mol. Its IUPAC name is 6-(bromomethyl)-3-(difluoromethyl)-4-fluoro-2-iodopyridine.

Molecular Properties

Compound Name6-(bromomethyl)-3-(difluoromethyl)-4-fluoro-2-iodopyridine
PubChem CID130080004
Molecular FormulaC7H4BrF3IN
Molecular Weight365.92 g/mol
Exact Mass364.85
IUPAC Name6-(bromomethyl)-3-(difluoromethyl)-4-fluoro-2-iodopyridine
SMILESFc1cc(CBr)nc(I)c1C(F)F
InChIInChI=1S/C7H4BrF3IN/c8-2-3-1-4(9)5(6(10)11)7(12)13-3/h1,6H,2H2
InChIKeyXBHYJBXNCSIQKN-UHFFFAOYSA-N
XLogP3.66
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.92
LogP ≤ 53.66
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-(bromomethyl)-3-(difluoromethyl)-2-iodopyridine-4-carboxylic acid
CID 130087214
6-bromo-3-(difluoromethyl)-4-fluoro-2-iodopyridine
CID 130109306
6-(bromomethyl)-3-(difluoromethyl)-4-fluoropyridine-2-carbaldehyde
CID 130081881
[6-(bromomethyl)-2-(difluoromethyl)-4-fluoro-3-pyridinyl]methanol
CID 130081832
6-(bromomethyl)-4-(difluoromethyl)-2-iodo-3-(trifluoromethoxy)pyridine
CID 134668844
6-(bromomethyl)-2-(difluoromethyl)-4-fluoropyridine-3-carbaldehyde
CID 130081885
[6-bromo-5-(difluoromethyl)-4-fluoro-2-pyridinyl]methanol
CID 119022962
[5-(difluoromethyl)-6-iodo-4-methyl-2-pyridinyl]methanamine
CID 130085953
[4-chloro-5-(difluoromethyl)-6-iodo-2-pyridinyl]methanol
CID 118845138
2-(bromomethyl)-6-(difluoromethyl)-4-fluoropyridine
CID 130096314
2-[4-bromo-5-(difluoromethyl)-6-iodo-2-pyridinyl]acetonitrile
CID 118833024
[5-(difluoromethyl)-6-iodo-4-methyl-2-pyridinyl]methanol
CID 130086168

Frequently Asked Questions

What is the IUPAC name of 6-(bromomethyl)-3-(difluoromethyl)-4-fluoro-2-iodopyridine?
The IUPAC name of 6-(bromomethyl)-3-(difluoromethyl)-4-fluoro-2-iodopyridine (CID 130080004) is 6-(bromomethyl)-3-(difluoromethyl)-4-fluoro-2-iodopyridine.
What is the SMILES notation for 6-(bromomethyl)-3-(difluoromethyl)-4-fluoro-2-iodopyridine?
The canonical SMILES for 6-(bromomethyl)-3-(difluoromethyl)-4-fluoro-2-iodopyridine is Fc1cc(CBr)nc(I)c1C(F)F.
What is the InChIKey of 6-(bromomethyl)-3-(difluoromethyl)-4-fluoro-2-iodopyridine?
The InChIKey is XBHYJBXNCSIQKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrF3IN/c8-2-3-1-4(9)5(6(10)11)7(12)13-3/h1,6H,2H2.
What are the key properties of 6-(bromomethyl)-3-(difluoromethyl)-4-fluoro-2-iodopyridine?
6-(bromomethyl)-3-(difluoromethyl)-4-fluoro-2-iodopyridine has a molecular weight of 365.92 g/mol, XLogP of 3.66, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(bromomethyl)-3-(difluoromethyl)-4-fluoro-2-iodopyridine is sourced from PubChem (CID 130080004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).