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

C7H5BrF2INO — CID 130110747

IUPAC5-bromo-2-(difluoromethyl)-3-iodo-6-methoxypyridine
SMILESCOc1nc(C(F)F)c(I)cc1Br
InChIInChI=1S/C7H5BrF2INO/c1-13-7-3(8)2-4(11)5(12-7)6(9)10/h2,6H,1H3
InChIKeyFUQFNFVSFINSIS-UHFFFAOYSA-N
MW363.93 g/mol
LogP3.39
Rot. Bonds2

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

5-bromo-2-(difluoromethyl)-3-iodo-6-methoxypyridine (PubChem CID 130110747) has the molecular formula C7H5BrF2INO and a molecular weight of 363.93 g/mol. Its IUPAC name is 5-bromo-2-(difluoromethyl)-3-iodo-6-methoxypyridine.

Molecular Properties

Compound Name5-bromo-2-(difluoromethyl)-3-iodo-6-methoxypyridine
PubChem CID130110747
Molecular FormulaC7H5BrF2INO
Molecular Weight363.93 g/mol
Exact Mass362.86
IUPAC Name5-bromo-2-(difluoromethyl)-3-iodo-6-methoxypyridine
SMILESCOc1nc(C(F)F)c(I)cc1Br
InChIInChI=1S/C7H5BrF2INO/c1-13-7-3(8)2-4(11)5(12-7)6(9)10/h2,6H,1H3
InChIKeyFUQFNFVSFINSIS-UHFFFAOYSA-N
XLogP3.39
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.93
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-3-(bromomethyl)-2-(difluoromethyl)-6-methoxypyridine
CID 130068755
[5-bromo-2-(difluoromethyl)-6-methoxy-3-pyridinyl]methanamine
CID 130068716
5-bromo-3-(difluoromethyl)-2-fluoro-6-methoxypyridine
CID 130109364
[2-(difluoromethyl)-5-iodo-6-methoxy-3-pyridinyl]methanol
CID 118848642
3-bromo-6-(difluoromethyl)-5-iodopyridine-2-carbonitrile
CID 130108635
2-(difluoromethyl)-6-methoxy-3,5-dimethylpyridine
CID 130101210
3-bromo-6-(difluoromethyl)-5-iodopyridine-2-carbonyl chloride
CID 130068532
[5-bromo-3-(difluoromethyl)-6-methoxy-2-pyridinyl]methanol
CID 130068911
2-(difluoromethyl)-6-methoxy-5-methylpyridine-3-sulfonamide
CID 119025071
2-(difluoromethyl)-4-iodo-3-methoxy-6-(trifluoromethyl)pyridine
CID 118809295
2-(difluoromethyl)-6-methoxy-3-methyl-5-(trifluoromethyl)pyridine
CID 133099889
2-(difluoromethyl)-5,6-dimethoxy-3-methylpyridine
CID 130100894

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(difluoromethyl)-3-iodo-6-methoxypyridine?
The IUPAC name of 5-bromo-2-(difluoromethyl)-3-iodo-6-methoxypyridine (CID 130110747) is 5-bromo-2-(difluoromethyl)-3-iodo-6-methoxypyridine.
What is the SMILES notation for 5-bromo-2-(difluoromethyl)-3-iodo-6-methoxypyridine?
The canonical SMILES for 5-bromo-2-(difluoromethyl)-3-iodo-6-methoxypyridine is COc1nc(C(F)F)c(I)cc1Br.
What is the InChIKey of 5-bromo-2-(difluoromethyl)-3-iodo-6-methoxypyridine?
The InChIKey is FUQFNFVSFINSIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrF2INO/c1-13-7-3(8)2-4(11)5(12-7)6(9)10/h2,6H,1H3.
What are the key properties of 5-bromo-2-(difluoromethyl)-3-iodo-6-methoxypyridine?
5-bromo-2-(difluoromethyl)-3-iodo-6-methoxypyridine has a molecular weight of 363.93 g/mol, XLogP of 3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(difluoromethyl)-3-iodo-6-methoxypyridine is sourced from PubChem (CID 130110747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).