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

C7H4BrF3IN — CID 130080031

IUPAC4-(bromomethyl)-2-(difluoromethyl)-6-fluoro-3-iodopyridine
SMILESFc1cc(CBr)c(I)c(C(F)F)n1
InChIInChI=1S/C7H4BrF3IN/c8-2-3-1-4(9)13-6(5(3)12)7(10)11/h1,7H,2H2
InChIKeyJUYFEJHMNZXAGU-UHFFFAOYSA-N
MW365.92 g/mol
LogP3.66
Rot. Bonds2

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

4-(bromomethyl)-2-(difluoromethyl)-6-fluoro-3-iodopyridine (PubChem CID 130080031) has the molecular formula C7H4BrF3IN and a molecular weight of 365.92 g/mol. Its IUPAC name is 4-(bromomethyl)-2-(difluoromethyl)-6-fluoro-3-iodopyridine.

Molecular Properties

Compound Name4-(bromomethyl)-2-(difluoromethyl)-6-fluoro-3-iodopyridine
PubChem CID130080031
Molecular FormulaC7H4BrF3IN
Molecular Weight365.92 g/mol
Exact Mass364.85
IUPAC Name4-(bromomethyl)-2-(difluoromethyl)-6-fluoro-3-iodopyridine
SMILESFc1cc(CBr)c(I)c(C(F)F)n1
InChIInChI=1S/C7H4BrF3IN/c8-2-3-1-4(9)13-6(5(3)12)7(10)11/h1,7H,2H2
InChIKeyJUYFEJHMNZXAGU-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

4-(bromomethyl)-6-chloro-2-(difluoromethyl)-3-iodopyridine
CID 130073150
4-(bromomethyl)-2-(difluoromethyl)-6-fluoro-3-methylpyridine
CID 130080978
2-(difluoromethyl)-6-fluoro-3,4-diiodopyridine
CID 118842841
2-(difluoromethyl)-4,6-difluoro-3-iodopyridine
CID 118846195
3-(bromomethyl)-2-(difluoromethyl)-4,6-difluoropyridine
CID 130099754
4-(bromomethyl)-6-(difluoromethyl)-3-iodopyridin-2-amine
CID 119010652
2-bromo-4-(bromomethyl)-3-(difluoromethyl)-6-fluoropyridine
CID 119005806
[3-bromo-2-(difluoromethyl)-6-fluoro-4-pyridinyl]methanamine
CID 118823517
2-(difluoromethyl)-6-fluoro-3-iodo-4-methoxypyridine
CID 118826386
4-(bromomethyl)-2-(difluoromethyl)-6-iodo-3-methylpyridine
CID 130086025
3-(bromomethyl)-2-chloro-6-(difluoromethyl)-5-iodopyridine
CID 130073132
4-(bromomethyl)-2-chloro-3-(difluoromethyl)-6-fluoropyridine
CID 130071761

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-2-(difluoromethyl)-6-fluoro-3-iodopyridine?
The IUPAC name of 4-(bromomethyl)-2-(difluoromethyl)-6-fluoro-3-iodopyridine (CID 130080031) is 4-(bromomethyl)-2-(difluoromethyl)-6-fluoro-3-iodopyridine.
What is the SMILES notation for 4-(bromomethyl)-2-(difluoromethyl)-6-fluoro-3-iodopyridine?
The canonical SMILES for 4-(bromomethyl)-2-(difluoromethyl)-6-fluoro-3-iodopyridine is Fc1cc(CBr)c(I)c(C(F)F)n1.
What is the InChIKey of 4-(bromomethyl)-2-(difluoromethyl)-6-fluoro-3-iodopyridine?
The InChIKey is JUYFEJHMNZXAGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrF3IN/c8-2-3-1-4(9)13-6(5(3)12)7(10)11/h1,7H,2H2.
What are the key properties of 4-(bromomethyl)-2-(difluoromethyl)-6-fluoro-3-iodopyridine?
4-(bromomethyl)-2-(difluoromethyl)-6-fluoro-3-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 4-(bromomethyl)-2-(difluoromethyl)-6-fluoro-3-iodopyridine is sourced from PubChem (CID 130080031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).