2-bromo-3-(difluoromethyl)-5-iodo-6-methylpyridine

C7H5BrF2IN — CID 118997432

IUPAC2-bromo-3-(difluoromethyl)-5-iodo-6-methylpyridine
SMILESCc1nc(Br)c(C(F)F)cc1I
InChIInChI=1S/C7H5BrF2IN/c1-3-5(11)2-4(7(9)10)6(8)12-3/h2,7H,1H3
InChIKeyIQGUOONJZDRTTE-UHFFFAOYSA-N
MW347.93 g/mol
LogP3.69
Rot. Bonds1

About 2-bromo-3-(difluoromethyl)-5-iodo-6-methylpyridine

2-bromo-3-(difluoromethyl)-5-iodo-6-methylpyridine (PubChem CID 118997432) has the molecular formula C7H5BrF2IN and a molecular weight of 347.93 g/mol. Its IUPAC name is 2-bromo-3-(difluoromethyl)-5-iodo-6-methylpyridine.

Molecular Properties

Compound Name2-bromo-3-(difluoromethyl)-5-iodo-6-methylpyridine
PubChem CID118997432
Molecular FormulaC7H5BrF2IN
Molecular Weight347.93 g/mol
Exact Mass346.86
IUPAC Name2-bromo-3-(difluoromethyl)-5-iodo-6-methylpyridine
SMILESCc1nc(Br)c(C(F)F)cc1I
InChIInChI=1S/C7H5BrF2IN/c1-3-5(11)2-4(7(9)10)6(8)12-3/h2,7H,1H3
InChIKeyIQGUOONJZDRTTE-UHFFFAOYSA-N
XLogP3.69
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.93
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

3-(difluoromethyl)-5-iodo-6-methylpyridine-2-carbaldehyde
CID 130086218
3-(difluoromethyl)-5-iodo-6-methylpyridine-2-carbonyl chloride
CID 130086377
5-(difluoromethyl)-3-iodo-2-methyl-6-nitropyridine
CID 130085938
ethyl 2-[6-bromo-5-(difluoromethyl)-3-iodo-2-pyridinyl]acetate
CID 134675103
2-bromo-6-chloro-3-(difluoromethyl)-5-methylpyridine
CID 119017908
2-bromo-6-(chloromethyl)-5-(difluoromethyl)-3-iodopyridine
CID 119010057
3-chloro-2-(difluoromethyl)-5-iodo-6-methylpyridine
CID 130073015
1-bromo-5-(difluoromethyl)-4-iodo-2-methylbenzene
CID 171033406
2-bromo-5-(difluoromethyl)-4-iodo-3-methylpyridine
CID 118998609
2,6-dibromo-3-(bromomethyl)-5-(difluoromethyl)pyridine
CID 130098992
2,5-dibromo-3-(difluoromethyl)-6-(trifluoromethyl)pyridine
CID 118994364
2,6-dibromo-3-(difluoromethyl)-5-(trifluoromethyl)pyridine
CID 118999254

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-(difluoromethyl)-5-iodo-6-methylpyridine?
The IUPAC name of 2-bromo-3-(difluoromethyl)-5-iodo-6-methylpyridine (CID 118997432) is 2-bromo-3-(difluoromethyl)-5-iodo-6-methylpyridine.
What is the SMILES notation for 2-bromo-3-(difluoromethyl)-5-iodo-6-methylpyridine?
The canonical SMILES for 2-bromo-3-(difluoromethyl)-5-iodo-6-methylpyridine is Cc1nc(Br)c(C(F)F)cc1I.
What is the InChIKey of 2-bromo-3-(difluoromethyl)-5-iodo-6-methylpyridine?
The InChIKey is IQGUOONJZDRTTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrF2IN/c1-3-5(11)2-4(7(9)10)6(8)12-3/h2,7H,1H3.
What are the key properties of 2-bromo-3-(difluoromethyl)-5-iodo-6-methylpyridine?
2-bromo-3-(difluoromethyl)-5-iodo-6-methylpyridine has a molecular weight of 347.93 g/mol, XLogP of 3.69, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-(difluoromethyl)-5-iodo-6-methylpyridine is sourced from PubChem (CID 118997432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).