6-(bromomethyl)-2-(difluoromethyl)-3-fluoro-4-methoxypyridine

C8H7BrF3NO — CID 130080615

IUPAC6-(bromomethyl)-2-(difluoromethyl)-3-fluoro-4-methoxypyridine
SMILESCOc1cc(CBr)nc(C(F)F)c1F
InChIInChI=1S/C8H7BrF3NO/c1-14-5-2-4(3-9)13-7(6(5)10)8(11)12/h2,8H,3H2,1H3
InChIKeyVWKDIFMFGXWXOO-UHFFFAOYSA-N
MW270.05 g/mol
LogP3.06
Rot. Bonds3

About 6-(bromomethyl)-2-(difluoromethyl)-3-fluoro-4-methoxypyridine

6-(bromomethyl)-2-(difluoromethyl)-3-fluoro-4-methoxypyridine (PubChem CID 130080615) has the molecular formula C8H7BrF3NO and a molecular weight of 270.05 g/mol. Its IUPAC name is 6-(bromomethyl)-2-(difluoromethyl)-3-fluoro-4-methoxypyridine.

Molecular Properties

Compound Name6-(bromomethyl)-2-(difluoromethyl)-3-fluoro-4-methoxypyridine
PubChem CID130080615
Molecular FormulaC8H7BrF3NO
Molecular Weight270.05 g/mol
Exact Mass268.97
IUPAC Name6-(bromomethyl)-2-(difluoromethyl)-3-fluoro-4-methoxypyridine
SMILESCOc1cc(CBr)nc(C(F)F)c1F
InChIInChI=1S/C8H7BrF3NO/c1-14-5-2-4(3-9)13-7(6(5)10)8(11)12/h2,8H,3H2,1H3
InChIKeyVWKDIFMFGXWXOO-UHFFFAOYSA-N
XLogP3.06
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.05
LogP ≤ 53.06
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

[6-(difluoromethyl)-5-fluoro-4-methoxy-2-pyridinyl]methanol
CID 118809132
6-(bromomethyl)-4-chloro-2-(difluoromethyl)-3-methoxypyridine
CID 130073747
2-[6-(bromomethyl)-2-(difluoromethyl)-3-fluoro-4-pyridinyl]acetic acid
CID 130082055
ethyl 6-(bromomethyl)-2-(difluoromethyl)-3-fluoropyridine-4-carboxylate
CID 133104718
6-(bromomethyl)-2-(difluoromethyl)-4-(trifluoromethoxy)-3-(trifluoromethyl)pyridine
CID 134670040
3-bromo-2-(bromomethyl)-6-(difluoromethyl)-5-methoxypyridine
CID 130068744
6-(bromomethyl)-4-chloro-2-(difluoromethyl)-3-methylpyridine
CID 130074144
1-(bromomethyl)-2,5-difluoro-3-methoxybenzene
CID 130936683
2-bromo-6-(difluoromethyl)-5-fluoro-3-methoxypyridine
CID 119009048
2-(difluoromethyl)-6-fluoro-3-iodo-4-methoxypyridine
CID 118826386
[6-(bromomethyl)-2-(difluoromethyl)-4-fluoro-3-pyridinyl]methanol
CID 130081832
methyl 2-[4-bromo-6-(bromomethyl)-2-(difluoromethyl)-3-pyridinyl]acetate
CID 134676136

Frequently Asked Questions

What is the IUPAC name of 6-(bromomethyl)-2-(difluoromethyl)-3-fluoro-4-methoxypyridine?
The IUPAC name of 6-(bromomethyl)-2-(difluoromethyl)-3-fluoro-4-methoxypyridine (CID 130080615) is 6-(bromomethyl)-2-(difluoromethyl)-3-fluoro-4-methoxypyridine.
What is the SMILES notation for 6-(bromomethyl)-2-(difluoromethyl)-3-fluoro-4-methoxypyridine?
The canonical SMILES for 6-(bromomethyl)-2-(difluoromethyl)-3-fluoro-4-methoxypyridine is COc1cc(CBr)nc(C(F)F)c1F.
What is the InChIKey of 6-(bromomethyl)-2-(difluoromethyl)-3-fluoro-4-methoxypyridine?
The InChIKey is VWKDIFMFGXWXOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrF3NO/c1-14-5-2-4(3-9)13-7(6(5)10)8(11)12/h2,8H,3H2,1H3.
What are the key properties of 6-(bromomethyl)-2-(difluoromethyl)-3-fluoro-4-methoxypyridine?
6-(bromomethyl)-2-(difluoromethyl)-3-fluoro-4-methoxypyridine has a molecular weight of 270.05 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(bromomethyl)-2-(difluoromethyl)-3-fluoro-4-methoxypyridine is sourced from PubChem (CID 130080615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).