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

C8H7Br2F2NO — CID 130068755

IUPAC5-bromo-3-(bromomethyl)-2-(difluoromethyl)-6-methoxypyridine
SMILESCOc1nc(C(F)F)c(CBr)cc1Br
InChIInChI=1S/C8H7Br2F2NO/c1-14-8-5(10)2-4(3-9)6(13-8)7(11)12/h2,7H,3H2,1H3
InChIKeyVWLUAUCIKYRVEY-UHFFFAOYSA-N
MW330.95 g/mol
LogP3.69
Rot. Bonds3

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

5-bromo-3-(bromomethyl)-2-(difluoromethyl)-6-methoxypyridine (PubChem CID 130068755) has the molecular formula C8H7Br2F2NO and a molecular weight of 330.95 g/mol. Its IUPAC name is 5-bromo-3-(bromomethyl)-2-(difluoromethyl)-6-methoxypyridine.

Molecular Properties

Compound Name5-bromo-3-(bromomethyl)-2-(difluoromethyl)-6-methoxypyridine
PubChem CID130068755
Molecular FormulaC8H7Br2F2NO
Molecular Weight330.95 g/mol
Exact Mass328.89
IUPAC Name5-bromo-3-(bromomethyl)-2-(difluoromethyl)-6-methoxypyridine
SMILESCOc1nc(C(F)F)c(CBr)cc1Br
InChIInChI=1S/C8H7Br2F2NO/c1-14-8-5(10)2-4(3-9)6(13-8)7(11)12/h2,7H,3H2,1H3
InChIKeyVWLUAUCIKYRVEY-UHFFFAOYSA-N
XLogP3.69
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.95
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[5-bromo-2-(difluoromethyl)-6-methoxy-3-pyridinyl]methanamine
CID 130068716
5-bromo-2-(difluoromethyl)-3-iodo-6-methoxypyridine
CID 130110747
5-(bromomethyl)-3-chloro-2-(difluoromethyl)-6-methoxypyridine
CID 130073770
5-bromo-3-(bromomethyl)-2-(difluoromethyl)-6-iodopyridine
CID 130068256
2-bromo-3-(bromomethyl)-5-(difluoromethyl)-6-methoxypyridine
CID 119011795
2-bromo-5-(bromomethyl)-6-(difluoromethyl)-3-methylpyridine
CID 118995667
5-bromo-3-(difluoromethyl)-2-fluoro-6-methoxypyridine
CID 130109364
3-bromo-2-(bromomethyl)-6-(difluoromethyl)-5-methoxypyridine
CID 130068744
4-(bromomethyl)-3-(difluoromethyl)-6-fluoro-2-methoxypyridine
CID 130080644
[5-bromo-3-(difluoromethyl)-6-methoxy-2-pyridinyl]methanol
CID 130068911
4-(bromomethyl)-3-(difluoromethyl)-6-iodo-2-methoxypyridine
CID 130085591
2-[3-bromo-5-(bromomethyl)-6-(difluoromethyl)-2-pyridinyl]acetonitrile
CID 130070239

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(bromomethyl)-2-(difluoromethyl)-6-methoxypyridine?
The IUPAC name of 5-bromo-3-(bromomethyl)-2-(difluoromethyl)-6-methoxypyridine (CID 130068755) is 5-bromo-3-(bromomethyl)-2-(difluoromethyl)-6-methoxypyridine.
What is the SMILES notation for 5-bromo-3-(bromomethyl)-2-(difluoromethyl)-6-methoxypyridine?
The canonical SMILES for 5-bromo-3-(bromomethyl)-2-(difluoromethyl)-6-methoxypyridine is COc1nc(C(F)F)c(CBr)cc1Br.
What is the InChIKey of 5-bromo-3-(bromomethyl)-2-(difluoromethyl)-6-methoxypyridine?
The InChIKey is VWLUAUCIKYRVEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Br2F2NO/c1-14-8-5(10)2-4(3-9)6(13-8)7(11)12/h2,7H,3H2,1H3.
What are the key properties of 5-bromo-3-(bromomethyl)-2-(difluoromethyl)-6-methoxypyridine?
5-bromo-3-(bromomethyl)-2-(difluoromethyl)-6-methoxypyridine has a molecular weight of 330.95 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(bromomethyl)-2-(difluoromethyl)-6-methoxypyridine is sourced from PubChem (CID 130068755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).