2-bromo-3-(chloromethyl)-5-(difluoromethyl)-6-iodopyridine

C7H4BrClF2IN — CID 119010218

IUPAC2-bromo-3-(chloromethyl)-5-(difluoromethyl)-6-iodopyridine
SMILESFC(F)c1cc(CCl)c(Br)nc1I
InChIInChI=1S/C7H4BrClF2IN/c8-5-3(2-9)1-4(6(10)11)7(12)13-5/h1,6H,2H2
InChIKeyLYKQGQMWUWUIDD-UHFFFAOYSA-N
MW382.37 g/mol
LogP4.13
Rot. Bonds2

About 2-bromo-3-(chloromethyl)-5-(difluoromethyl)-6-iodopyridine

2-bromo-3-(chloromethyl)-5-(difluoromethyl)-6-iodopyridine (PubChem CID 119010218) has the molecular formula C7H4BrClF2IN and a molecular weight of 382.37 g/mol. Its IUPAC name is 2-bromo-3-(chloromethyl)-5-(difluoromethyl)-6-iodopyridine.

Molecular Properties

Compound Name2-bromo-3-(chloromethyl)-5-(difluoromethyl)-6-iodopyridine
PubChem CID119010218
Molecular FormulaC7H4BrClF2IN
Molecular Weight382.37 g/mol
Exact Mass380.82
IUPAC Name2-bromo-3-(chloromethyl)-5-(difluoromethyl)-6-iodopyridine
SMILESFC(F)c1cc(CCl)c(Br)nc1I
InChIInChI=1S/C7H4BrClF2IN/c8-5-3(2-9)1-4(6(10)11)7(12)13-5/h1,6H,2H2
InChIKeyLYKQGQMWUWUIDD-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': '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

2,6-dibromo-3-(chloromethyl)-5-(difluoromethyl)pyridine
CID 130099019
5-(chloromethyl)-3-(difluoromethyl)-2-iodo-6-nitropyridine
CID 130086612
2-bromo-6-chloro-5-(chloromethyl)-3-(difluoromethyl)pyridine
CID 119016714
5-(chloromethyl)-3-(difluoromethyl)-6-iodopyridine-2-carbaldehyde
CID 130087526
6-bromo-3-(chloromethyl)-5-(difluoromethyl)pyridine-2-carbaldehyde
CID 118990917
2-bromo-3-(chloromethyl)-6-(difluoromethyl)-5-fluoropyridine
CID 119011286
2-bromo-6-(chloromethyl)-5-(difluoromethyl)-3-iodopyridine
CID 119010057
methyl 2-[2-(chloromethyl)-5-(difluoromethyl)-6-iodo-3-pyridinyl]acetate
CID 133100336
2-bromo-5-(chloromethyl)-3-(difluoromethyl)-6-(trifluoromethoxy)pyridine
CID 119006485
2,6-dibromo-3-(bromomethyl)-5-(difluoromethyl)pyridine
CID 130098992
[2,6-dibromo-5-(difluoromethyl)-3-pyridinyl]methanol
CID 119006650
2-bromo-6-chloro-3-(chloromethyl)-4-(difluoromethyl)pyridine
CID 119001903

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-(chloromethyl)-5-(difluoromethyl)-6-iodopyridine?
The IUPAC name of 2-bromo-3-(chloromethyl)-5-(difluoromethyl)-6-iodopyridine (CID 119010218) is 2-bromo-3-(chloromethyl)-5-(difluoromethyl)-6-iodopyridine.
What is the SMILES notation for 2-bromo-3-(chloromethyl)-5-(difluoromethyl)-6-iodopyridine?
The canonical SMILES for 2-bromo-3-(chloromethyl)-5-(difluoromethyl)-6-iodopyridine is FC(F)c1cc(CCl)c(Br)nc1I.
What is the InChIKey of 2-bromo-3-(chloromethyl)-5-(difluoromethyl)-6-iodopyridine?
The InChIKey is LYKQGQMWUWUIDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrClF2IN/c8-5-3(2-9)1-4(6(10)11)7(12)13-5/h1,6H,2H2.
What are the key properties of 2-bromo-3-(chloromethyl)-5-(difluoromethyl)-6-iodopyridine?
2-bromo-3-(chloromethyl)-5-(difluoromethyl)-6-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 2-bromo-3-(chloromethyl)-5-(difluoromethyl)-6-iodopyridine is sourced from PubChem (CID 119010218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).