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

C8H7Br2F2NO — CID 130068744

IUPAC3-bromo-2-(bromomethyl)-6-(difluoromethyl)-5-methoxypyridine
SMILESCOc1cc(Br)c(CBr)nc1C(F)F
InChIInChI=1S/C8H7Br2F2NO/c1-14-6-2-4(10)5(3-9)13-7(6)8(11)12/h2,8H,3H2,1H3
InChIKeyLUWKDBYSSFPQAB-UHFFFAOYSA-N
MW330.95 g/mol
LogP3.69
Rot. Bonds3

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

3-bromo-2-(bromomethyl)-6-(difluoromethyl)-5-methoxypyridine (PubChem CID 130068744) has the molecular formula C8H7Br2F2NO and a molecular weight of 330.95 g/mol. Its IUPAC name is 3-bromo-2-(bromomethyl)-6-(difluoromethyl)-5-methoxypyridine.

Molecular Properties

Compound Name3-bromo-2-(bromomethyl)-6-(difluoromethyl)-5-methoxypyridine
PubChem CID130068744
Molecular FormulaC8H7Br2F2NO
Molecular Weight330.95 g/mol
Exact Mass328.89
IUPAC Name3-bromo-2-(bromomethyl)-6-(difluoromethyl)-5-methoxypyridine
SMILESCOc1cc(Br)c(CBr)nc1C(F)F
InChIInChI=1S/C8H7Br2F2NO/c1-14-6-2-4(10)5(3-9)13-7(6)8(11)12/h2,8H,3H2,1H3
InChIKeyLUWKDBYSSFPQAB-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)-3-methoxy-6-methylpyridine
CID 130068654
2-(chloromethyl)-6-(difluoromethyl)-3,5-dimethoxypyridine
CID 118843665
5-bromo-3-(bromomethyl)-2-(difluoromethyl)-6-methoxypyridine
CID 130068755
2-[2-bromo-6-(difluoromethyl)-5-methoxy-3-pyridinyl]acetic acid
CID 119021742
methyl 2-[2-(bromomethyl)-6-(difluoromethyl)-5-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134668956
4-bromo-2-(bromomethyl)-6-(difluoromethyl)-3-methoxypyridine
CID 130068761
2-(bromomethyl)-3-(difluoromethyl)-4-methoxy-6-methylpyridine
CID 130087789
6-(bromomethyl)-2-(difluoromethyl)-3-fluoro-4-methoxypyridine
CID 130080615
[5-bromo-2-(bromomethyl)-6-(difluoromethyl)-3-pyridinyl]methanol
CID 130070299
[3-bromo-6-(difluoromethyl)-5-methyl-2-pyridinyl]methanamine
CID 118820028
[5-bromo-6-(difluoromethyl)-3-methyl-2-pyridinyl]methanol
CID 130069341
methyl 2-[3-bromo-6-(bromomethyl)-5-(difluoromethyl)-2-pyridinyl]acetate
CID 134674702

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-(bromomethyl)-6-(difluoromethyl)-5-methoxypyridine?
The IUPAC name of 3-bromo-2-(bromomethyl)-6-(difluoromethyl)-5-methoxypyridine (CID 130068744) is 3-bromo-2-(bromomethyl)-6-(difluoromethyl)-5-methoxypyridine.
What is the SMILES notation for 3-bromo-2-(bromomethyl)-6-(difluoromethyl)-5-methoxypyridine?
The canonical SMILES for 3-bromo-2-(bromomethyl)-6-(difluoromethyl)-5-methoxypyridine is COc1cc(Br)c(CBr)nc1C(F)F.
What is the InChIKey of 3-bromo-2-(bromomethyl)-6-(difluoromethyl)-5-methoxypyridine?
The InChIKey is LUWKDBYSSFPQAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Br2F2NO/c1-14-6-2-4(10)5(3-9)13-7(6)8(11)12/h2,8H,3H2,1H3.
What are the key properties of 3-bromo-2-(bromomethyl)-6-(difluoromethyl)-5-methoxypyridine?
3-bromo-2-(bromomethyl)-6-(difluoromethyl)-5-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 3-bromo-2-(bromomethyl)-6-(difluoromethyl)-5-methoxypyridine is sourced from PubChem (CID 130068744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).