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

C7H4BrClF2IN — CID 130068320

IUPAC3-bromo-6-(chloromethyl)-2-(difluoromethyl)-4-iodopyridine
SMILESFC(F)c1nc(CCl)cc(I)c1Br
InChIInChI=1S/C7H4BrClF2IN/c8-5-4(12)1-3(2-9)13-6(5)7(10)11/h1,7H,2H2
InChIKeyZNVLTVNGBHATPI-UHFFFAOYSA-N
MW382.37 g/mol
LogP4.13
Rot. Bonds2

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

3-bromo-6-(chloromethyl)-2-(difluoromethyl)-4-iodopyridine (PubChem CID 130068320) has the molecular formula C7H4BrClF2IN and a molecular weight of 382.37 g/mol. Its IUPAC name is 3-bromo-6-(chloromethyl)-2-(difluoromethyl)-4-iodopyridine.

Molecular Properties

Compound Name3-bromo-6-(chloromethyl)-2-(difluoromethyl)-4-iodopyridine
PubChem CID130068320
Molecular FormulaC7H4BrClF2IN
Molecular Weight382.37 g/mol
Exact Mass380.82
IUPAC Name3-bromo-6-(chloromethyl)-2-(difluoromethyl)-4-iodopyridine
SMILESFC(F)c1nc(CCl)cc(I)c1Br
InChIInChI=1S/C7H4BrClF2IN/c8-5-4(12)1-3(2-9)13-6(5)7(10)11/h1,7H,2H2
InChIKeyZNVLTVNGBHATPI-UHFFFAOYSA-N
XLogP4.13
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.37
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

3-chloro-6-(chloromethyl)-2-(difluoromethyl)-4-iodopyridine
CID 130073205
2-[3-bromo-6-(chloromethyl)-2-(difluoromethyl)-4-pyridinyl]acetic acid
CID 130070813
3-chloro-6-(chloromethyl)-2-(difluoromethyl)-4-methylpyridine
CID 130074238
6-(chloromethyl)-2-(difluoromethyl)-3,4-difluoropyridine
CID 130099800
6-(chloromethyl)-2-(difluoromethyl)-3-iodo-4-nitropyridine
CID 130086595
3-bromo-2-(difluoromethyl)-4-iodo-6-nitropyridine
CID 130110794
[3-chloro-6-(chloromethyl)-2-(difluoromethyl)-4-pyridinyl]methanol
CID 130075594
2-bromo-6-(chloromethyl)-5-(difluoromethyl)-3-iodopyridine
CID 119010057
2-bromo-3-(chloromethyl)-5-(difluoromethyl)-6-iodopyridine
CID 119010218
3,4-dibromo-6-chloro-2-(difluoromethyl)pyridine
CID 130098856
6-(chloromethyl)-4-(difluoromethyl)-2-fluoro-3-iodopyridine
CID 130080047
3-bromo-4-(chloromethyl)-2-(difluoromethyl)-6-methoxypyridine
CID 130068793

Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-(chloromethyl)-2-(difluoromethyl)-4-iodopyridine?
The IUPAC name of 3-bromo-6-(chloromethyl)-2-(difluoromethyl)-4-iodopyridine (CID 130068320) is 3-bromo-6-(chloromethyl)-2-(difluoromethyl)-4-iodopyridine.
What is the SMILES notation for 3-bromo-6-(chloromethyl)-2-(difluoromethyl)-4-iodopyridine?
The canonical SMILES for 3-bromo-6-(chloromethyl)-2-(difluoromethyl)-4-iodopyridine is FC(F)c1nc(CCl)cc(I)c1Br.
What is the InChIKey of 3-bromo-6-(chloromethyl)-2-(difluoromethyl)-4-iodopyridine?
The InChIKey is ZNVLTVNGBHATPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrClF2IN/c8-5-4(12)1-3(2-9)13-6(5)7(10)11/h1,7H,2H2.
What are the key properties of 3-bromo-6-(chloromethyl)-2-(difluoromethyl)-4-iodopyridine?
3-bromo-6-(chloromethyl)-2-(difluoromethyl)-4-iodopyridine has a molecular weight of 382.37 g/mol, XLogP of 4.13, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-(chloromethyl)-2-(difluoromethyl)-4-iodopyridine is sourced from PubChem (CID 130068320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).