4-bromo-3-fluoro-2-propan-2-ylpyridine

C8H9BrFN — CID 130153363

IUPAC4-bromo-3-fluoro-2-propan-2-ylpyridine
SMILESCC(C)c1nccc(Br)c1F
InChIInChI=1S/C8H9BrFN/c1-5(2)8-7(10)6(9)3-4-11-8/h3-5H,1-2H3
InChIKeyBRTBURNYQUIHKS-UHFFFAOYSA-N
MW218.07 g/mol
LogP3.11
Rot. Bonds1

About 4-bromo-3-fluoro-2-propan-2-ylpyridine

4-bromo-3-fluoro-2-propan-2-ylpyridine (PubChem CID 130153363) has the molecular formula C8H9BrFN and a molecular weight of 218.07 g/mol. Its IUPAC name is 4-bromo-3-fluoro-2-propan-2-ylpyridine.

Molecular Properties

Compound Name4-bromo-3-fluoro-2-propan-2-ylpyridine
PubChem CID130153363
Molecular FormulaC8H9BrFN
Molecular Weight218.07 g/mol
Exact Mass216.99
IUPAC Name4-bromo-3-fluoro-2-propan-2-ylpyridine
SMILESCC(C)c1nccc(Br)c1F
InChIInChI=1S/C8H9BrFN/c1-5(2)8-7(10)6(9)3-4-11-8/h3-5H,1-2H3
InChIKeyBRTBURNYQUIHKS-UHFFFAOYSA-N
XLogP3.11
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.07
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-fluoro-2-propan-2-ylpyridine?
The IUPAC name of 4-bromo-3-fluoro-2-propan-2-ylpyridine (CID 130153363) is 4-bromo-3-fluoro-2-propan-2-ylpyridine.
What is the SMILES notation for 4-bromo-3-fluoro-2-propan-2-ylpyridine?
The canonical SMILES for 4-bromo-3-fluoro-2-propan-2-ylpyridine is CC(C)c1nccc(Br)c1F.
What is the InChIKey of 4-bromo-3-fluoro-2-propan-2-ylpyridine?
The InChIKey is BRTBURNYQUIHKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrFN/c1-5(2)8-7(10)6(9)3-4-11-8/h3-5H,1-2H3.
What are the key properties of 4-bromo-3-fluoro-2-propan-2-ylpyridine?
4-bromo-3-fluoro-2-propan-2-ylpyridine has a molecular weight of 218.07 g/mol, XLogP of 3.11, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-fluoro-2-propan-2-ylpyridine is sourced from PubChem (CID 130153363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).