4-bromo-5-fluoro-1,2-dihydropyridine

C5H5BrFN — CID 141279718

IUPAC4-bromo-5-fluoro-1,2-dihydropyridine
SMILESFC1=CNCC=C1Br
InChIInChI=1S/C5H5BrFN/c6-4-1-2-8-3-5(4)7/h1,3,8H,2H2
InChIKeyLYMUASBNCLWUEL-UHFFFAOYSA-N
MW178.00 g/mol
LogP1.68
Rot. Bonds

About 4-bromo-5-fluoro-1,2-dihydropyridine

4-bromo-5-fluoro-1,2-dihydropyridine (PubChem CID 141279718) has the molecular formula C5H5BrFN and a molecular weight of 178.00 g/mol. Its IUPAC name is 4-bromo-5-fluoro-1,2-dihydropyridine.

Molecular Properties

Compound Name4-bromo-5-fluoro-1,2-dihydropyridine
PubChem CID141279718
Molecular FormulaC5H5BrFN
Molecular Weight178.00 g/mol
Exact Mass176.96
IUPAC Name4-bromo-5-fluoro-1,2-dihydropyridine
SMILESFC1=CNCC=C1Br
InChIInChI=1S/C5H5BrFN/c6-4-1-2-8-3-5(4)7/h1,3,8H,2H2
InChIKeyLYMUASBNCLWUEL-UHFFFAOYSA-N
XLogP1.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.00
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-fluoro-1,2-dihydropyridine?
The IUPAC name of 4-bromo-5-fluoro-1,2-dihydropyridine (CID 141279718) is 4-bromo-5-fluoro-1,2-dihydropyridine.
What is the SMILES notation for 4-bromo-5-fluoro-1,2-dihydropyridine?
The canonical SMILES for 4-bromo-5-fluoro-1,2-dihydropyridine is FC1=CNCC=C1Br.
What is the InChIKey of 4-bromo-5-fluoro-1,2-dihydropyridine?
The InChIKey is LYMUASBNCLWUEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5BrFN/c6-4-1-2-8-3-5(4)7/h1,3,8H,2H2.
What are the key properties of 4-bromo-5-fluoro-1,2-dihydropyridine?
4-bromo-5-fluoro-1,2-dihydropyridine has a molecular weight of 178.00 g/mol, XLogP of 1.68, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-fluoro-1,2-dihydropyridine is sourced from PubChem (CID 141279718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).