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

C7H4BrClF2IN — CID 119010057

IUPAC2-bromo-6-(chloromethyl)-5-(difluoromethyl)-3-iodopyridine
SMILESFC(F)c1cc(I)c(Br)nc1CCl
InChIInChI=1S/C7H4BrClF2IN/c8-6-4(12)1-3(7(10)11)5(2-9)13-6/h1,7H,2H2
InChIKeyOBKNNCSGRKDZAD-UHFFFAOYSA-N
MW382.37 g/mol
LogP4.13
Rot. Bonds2

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

2-bromo-6-(chloromethyl)-5-(difluoromethyl)-3-iodopyridine (PubChem CID 119010057) has the molecular formula C7H4BrClF2IN and a molecular weight of 382.37 g/mol. Its IUPAC name is 2-bromo-6-(chloromethyl)-5-(difluoromethyl)-3-iodopyridine.

Molecular Properties

Compound Name2-bromo-6-(chloromethyl)-5-(difluoromethyl)-3-iodopyridine
PubChem CID119010057
Molecular FormulaC7H4BrClF2IN
Molecular Weight382.37 g/mol
Exact Mass380.82
IUPAC Name2-bromo-6-(chloromethyl)-5-(difluoromethyl)-3-iodopyridine
SMILESFC(F)c1cc(I)c(Br)nc1CCl
InChIInChI=1S/C7H4BrClF2IN/c8-6-4(12)1-3(7(10)11)5(2-9)13-6/h1,7H,2H2
InChIKeyOBKNNCSGRKDZAD-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-bromo-6-(chloromethyl)-5-(difluoromethyl)pyridine-3-carbonitrile
CID 119006901
2-bromo-6-(chloromethyl)-5-(difluoromethyl)pyridine-3-carboxylic acid
CID 119012331
2-bromo-6-(chloromethyl)-3-(difluoromethyl)-5-(trifluoromethyl)pyridine
CID 119022475
2-(chloromethyl)-3-(difluoromethyl)-5-iodo-6-nitropyridine
CID 118826854
6-(chloromethyl)-3-(difluoromethyl)-5-iodopyridin-2-amine
CID 119019561
2-bromo-6-(chloromethyl)-3-(difluoromethyl)-5-nitropyridine
CID 119020031
6-bromo-2-(chloromethyl)-3-(difluoromethyl)pyridine
CID 130095122
2-bromo-3-(difluoromethyl)-5-iodo-6-methylpyridine
CID 118997432
2,6-dibromo-3-(chloromethyl)-5-(difluoromethyl)pyridine
CID 130099019
2-bromo-3-(chloromethyl)-5-(difluoromethyl)-6-iodopyridine
CID 119010218
6-(chloromethyl)-3-(difluoromethyl)-5-iodopyridine-2-carbonitrile
CID 118821181
6-(chloromethyl)-3-(difluoromethyl)-5-iodopyridine-2-carboxylic acid
CID 118826934

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-(chloromethyl)-5-(difluoromethyl)-3-iodopyridine?
The IUPAC name of 2-bromo-6-(chloromethyl)-5-(difluoromethyl)-3-iodopyridine (CID 119010057) is 2-bromo-6-(chloromethyl)-5-(difluoromethyl)-3-iodopyridine.
What is the SMILES notation for 2-bromo-6-(chloromethyl)-5-(difluoromethyl)-3-iodopyridine?
The canonical SMILES for 2-bromo-6-(chloromethyl)-5-(difluoromethyl)-3-iodopyridine is FC(F)c1cc(I)c(Br)nc1CCl.
What is the InChIKey of 2-bromo-6-(chloromethyl)-5-(difluoromethyl)-3-iodopyridine?
The InChIKey is OBKNNCSGRKDZAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrClF2IN/c8-6-4(12)1-3(7(10)11)5(2-9)13-6/h1,7H,2H2.
What are the key properties of 2-bromo-6-(chloromethyl)-5-(difluoromethyl)-3-iodopyridine?
2-bromo-6-(chloromethyl)-5-(difluoromethyl)-3-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-6-(chloromethyl)-5-(difluoromethyl)-3-iodopyridine is sourced from PubChem (CID 119010057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).