4-bromo-2,3-difluoropyridine;5-bromo-4-fluoro-2-methoxypyridine

C11H7Br2F3N2O — CID 146592444

IUPAC4-bromo-2,3-difluoropyridine;5-bromo-4-fluoro-2-methoxypyridine
SMILESCOc1cc(F)c(Br)cn1.Fc1nccc(Br)c1F
InChIInChI=1S/C6H5BrFNO.C5H2BrF2N/c1-10-6-2-5(8)4(7)3-9-6;6-3-1-2-9-5(8)4(3)7/h2-3H,1H3;1-2H
InChIKeyYTBDDZKABFOQJF-UHFFFAOYSA-N
MW399.99 g/mol
LogP4.11
Rot. Bonds1

About 4-bromo-2,3-difluoropyridine;5-bromo-4-fluoro-2-methoxypyridine

4-bromo-2,3-difluoropyridine;5-bromo-4-fluoro-2-methoxypyridine (PubChem CID 146592444) has the molecular formula C11H7Br2F3N2O and a molecular weight of 399.99 g/mol. Its IUPAC name is 4-bromo-2,3-difluoropyridine;5-bromo-4-fluoro-2-methoxypyridine.

Molecular Properties

Compound Name4-bromo-2,3-difluoropyridine;5-bromo-4-fluoro-2-methoxypyridine
PubChem CID146592444
Molecular FormulaC11H7Br2F3N2O
Molecular Weight399.99 g/mol
Exact Mass397.89
IUPAC Name4-bromo-2,3-difluoropyridine;5-bromo-4-fluoro-2-methoxypyridine
SMILESCOc1cc(F)c(Br)cn1.Fc1nccc(Br)c1F
InChIInChI=1S/C6H5BrFNO.C5H2BrF2N/c1-10-6-2-5(8)4(7)3-9-6;6-3-1-2-9-5(8)4(3)7/h2-3H,1H3;1-2H
InChIKeyYTBDDZKABFOQJF-UHFFFAOYSA-N
XLogP4.11
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.99
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,3-difluoropyridine;5-bromo-4-fluoro-2-methoxypyridine?
The IUPAC name of 4-bromo-2,3-difluoropyridine;5-bromo-4-fluoro-2-methoxypyridine (CID 146592444) is 4-bromo-2,3-difluoropyridine;5-bromo-4-fluoro-2-methoxypyridine.
What is the SMILES notation for 4-bromo-2,3-difluoropyridine;5-bromo-4-fluoro-2-methoxypyridine?
The canonical SMILES for 4-bromo-2,3-difluoropyridine;5-bromo-4-fluoro-2-methoxypyridine is COc1cc(F)c(Br)cn1.Fc1nccc(Br)c1F.
What is the InChIKey of 4-bromo-2,3-difluoropyridine;5-bromo-4-fluoro-2-methoxypyridine?
The InChIKey is YTBDDZKABFOQJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrFNO.C5H2BrF2N/c1-10-6-2-5(8)4(7)3-9-6;6-3-1-2-9-5(8)4(3)7/h2-3H,1H3;1-2H.
What are the key properties of 4-bromo-2,3-difluoropyridine;5-bromo-4-fluoro-2-methoxypyridine?
4-bromo-2,3-difluoropyridine;5-bromo-4-fluoro-2-methoxypyridine has a molecular weight of 399.99 g/mol, XLogP of 4.11, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,3-difluoropyridine;5-bromo-4-fluoro-2-methoxypyridine is sourced from PubChem (CID 146592444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).