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

C7H5BrF3NO — CID 130109372

IUPAC3-bromo-6-(difluoromethyl)-4-fluoro-2-methoxypyridine
SMILESCOc1nc(C(F)F)cc(F)c1Br
InChIInChI=1S/C7H5BrF3NO/c1-13-7-5(8)3(9)2-4(12-7)6(10)11/h2,6H,1H3
InChIKeyPPKPSURINWEQEZ-UHFFFAOYSA-N
MW256.02 g/mol
LogP2.93
Rot. Bonds2

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

3-bromo-6-(difluoromethyl)-4-fluoro-2-methoxypyridine (PubChem CID 130109372) has the molecular formula C7H5BrF3NO and a molecular weight of 256.02 g/mol. Its IUPAC name is 3-bromo-6-(difluoromethyl)-4-fluoro-2-methoxypyridine.

Molecular Properties

Compound Name3-bromo-6-(difluoromethyl)-4-fluoro-2-methoxypyridine
PubChem CID130109372
Molecular FormulaC7H5BrF3NO
Molecular Weight256.02 g/mol
Exact Mass254.95
IUPAC Name3-bromo-6-(difluoromethyl)-4-fluoro-2-methoxypyridine
SMILESCOc1nc(C(F)F)cc(F)c1Br
InChIInChI=1S/C7H5BrF3NO/c1-13-7-5(8)3(9)2-4(12-7)6(10)11/h2,6H,1H3
InChIKeyPPKPSURINWEQEZ-UHFFFAOYSA-N
XLogP2.93
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.02
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-4-(chloromethyl)-6-(difluoromethyl)-2-methoxypyridine
CID 130068796
4-bromo-6-(difluoromethyl)-2-methoxypyridine-3-sulfonamide
CID 118850937
6-(difluoromethyl)-3,4-diiodo-2-methoxypyridine
CID 130100522
6-(difluoromethyl)-3-fluoro-2-methoxypyridine-4-carbonyl chloride
CID 133105557
6-(difluoromethyl)-3-fluoro-2-methoxypyridine-4-sulfonamide
CID 133105136
6-(difluoromethyl)-2,3-dimethoxypyridine-4-carboxylic acid
CID 130100962
5-bromo-3-(difluoromethyl)-2-fluoro-6-methoxypyridine
CID 130109364
5-bromo-3-fluoro-2-methoxy-6-methylpyridine
CID 52982885
[4-chloro-6-(difluoromethyl)-2-methoxy-3-pyridinyl]methanamine
CID 130073717
2-bromo-6-(difluoromethyl)-3-methoxypyridine-4-carboxylic acid
CID 119013170
[4-chloro-6-(difluoromethyl)-2-methoxy-3-pyridinyl]methanol
CID 118822488
[3-chloro-6-(difluoromethyl)-2-methoxy-4-pyridinyl]methanamine
CID 130073730

Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-(difluoromethyl)-4-fluoro-2-methoxypyridine?
The IUPAC name of 3-bromo-6-(difluoromethyl)-4-fluoro-2-methoxypyridine (CID 130109372) is 3-bromo-6-(difluoromethyl)-4-fluoro-2-methoxypyridine.
What is the SMILES notation for 3-bromo-6-(difluoromethyl)-4-fluoro-2-methoxypyridine?
The canonical SMILES for 3-bromo-6-(difluoromethyl)-4-fluoro-2-methoxypyridine is COc1nc(C(F)F)cc(F)c1Br.
What is the InChIKey of 3-bromo-6-(difluoromethyl)-4-fluoro-2-methoxypyridine?
The InChIKey is PPKPSURINWEQEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrF3NO/c1-13-7-5(8)3(9)2-4(12-7)6(10)11/h2,6H,1H3.
What are the key properties of 3-bromo-6-(difluoromethyl)-4-fluoro-2-methoxypyridine?
3-bromo-6-(difluoromethyl)-4-fluoro-2-methoxypyridine has a molecular weight of 256.02 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-(difluoromethyl)-4-fluoro-2-methoxypyridine is sourced from PubChem (CID 130109372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).