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

C7H4Br2F2IN — CID 130068259

IUPAC4-bromo-2-(bromomethyl)-3-(difluoromethyl)-6-iodopyridine
SMILESFC(F)c1c(Br)cc(I)nc1CBr
InChIInChI=1S/C7H4Br2F2IN/c8-2-4-6(7(10)11)3(9)1-5(12)13-4/h1,7H,2H2
InChIKeyUJACDAPBYVEQRZ-UHFFFAOYSA-N
MW426.82 g/mol
LogP4.28
Rot. Bonds2

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

4-bromo-2-(bromomethyl)-3-(difluoromethyl)-6-iodopyridine (PubChem CID 130068259) has the molecular formula C7H4Br2F2IN and a molecular weight of 426.82 g/mol. Its IUPAC name is 4-bromo-2-(bromomethyl)-3-(difluoromethyl)-6-iodopyridine.

Molecular Properties

Compound Name4-bromo-2-(bromomethyl)-3-(difluoromethyl)-6-iodopyridine
PubChem CID130068259
Molecular FormulaC7H4Br2F2IN
Molecular Weight426.82 g/mol
Exact Mass424.77
IUPAC Name4-bromo-2-(bromomethyl)-3-(difluoromethyl)-6-iodopyridine
SMILESFC(F)c1c(Br)cc(I)nc1CBr
InChIInChI=1S/C7H4Br2F2IN/c8-2-4-6(7(10)11)3(9)1-5(12)13-4/h1,7H,2H2
InChIKeyUJACDAPBYVEQRZ-UHFFFAOYSA-N
XLogP4.28
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.82
LogP ≤ 54.28
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

4-bromo-3-(difluoromethyl)-6-iodopyridine-2-carboxylic acid
CID 118844256
6-bromo-2-(bromomethyl)-3-(difluoromethyl)-4-methylpyridine
CID 130069181
4-(bromomethyl)-3-(difluoromethyl)-6-iodopyridin-2-amine
CID 118995900
2-(bromomethyl)-4-(difluoromethyl)-6-iodopyridine-3-carboxylic acid
CID 118815747
6-(bromomethyl)-5-(difluoromethyl)-4-iodopyridine-2-carboxylic acid
CID 130087202
2-bromo-3-(difluoromethyl)-4,6-diiodopyridine
CID 130100418
6-bromo-2-(bromomethyl)-3-(difluoromethyl)-4-(trifluoromethyl)pyridine
CID 130070180
methyl 2-[4-bromo-6-(bromomethyl)-3-(difluoromethyl)-2-pyridinyl]acetate
CID 134685357
2-(bromomethyl)-5-(difluoromethyl)-6-iodopyridin-3-ol
CID 130082625
[4-bromo-3-(difluoromethyl)-6-fluoro-2-pyridinyl]methanamine
CID 118803186
6-(aminomethyl)-4-bromo-5-(difluoromethyl)pyridin-2-amine
CID 130101856
4-(bromomethyl)-3-(difluoromethyl)-6-iodo-2-methoxypyridine
CID 130085591

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(bromomethyl)-3-(difluoromethyl)-6-iodopyridine?
The IUPAC name of 4-bromo-2-(bromomethyl)-3-(difluoromethyl)-6-iodopyridine (CID 130068259) is 4-bromo-2-(bromomethyl)-3-(difluoromethyl)-6-iodopyridine.
What is the SMILES notation for 4-bromo-2-(bromomethyl)-3-(difluoromethyl)-6-iodopyridine?
The canonical SMILES for 4-bromo-2-(bromomethyl)-3-(difluoromethyl)-6-iodopyridine is FC(F)c1c(Br)cc(I)nc1CBr.
What is the InChIKey of 4-bromo-2-(bromomethyl)-3-(difluoromethyl)-6-iodopyridine?
The InChIKey is UJACDAPBYVEQRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Br2F2IN/c8-2-4-6(7(10)11)3(9)1-5(12)13-4/h1,7H,2H2.
What are the key properties of 4-bromo-2-(bromomethyl)-3-(difluoromethyl)-6-iodopyridine?
4-bromo-2-(bromomethyl)-3-(difluoromethyl)-6-iodopyridine has a molecular weight of 426.82 g/mol, XLogP of 4.28, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(bromomethyl)-3-(difluoromethyl)-6-iodopyridine is sourced from PubChem (CID 130068259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).