4-bromo-2-fluoro-2,3-dihydropyridine

C5H5BrFN — CID 155445687

IUPAC4-bromo-2-fluoro-2,3-dihydropyridine
SMILESFC1CC(Br)=CC=N1
InChIInChI=1S/C5H5BrFN/c6-4-1-2-8-5(7)3-4/h1-2,5H,3H2
InChIKeyUUBANOUWORQLSO-UHFFFAOYSA-N
MW178.00 g/mol
LogP2.04
Rot. Bonds

About 4-bromo-2-fluoro-2,3-dihydropyridine

4-bromo-2-fluoro-2,3-dihydropyridine (PubChem CID 155445687) has the molecular formula C5H5BrFN and a molecular weight of 178.00 g/mol. Its IUPAC name is 4-bromo-2-fluoro-2,3-dihydropyridine.

Molecular Properties

Compound Name4-bromo-2-fluoro-2,3-dihydropyridine
PubChem CID155445687
Molecular FormulaC5H5BrFN
Molecular Weight178.00 g/mol
Exact Mass176.96
IUPAC Name4-bromo-2-fluoro-2,3-dihydropyridine
SMILESFC1CC(Br)=CC=N1
InChIInChI=1S/C5H5BrFN/c6-4-1-2-8-5(7)3-4/h1-2,5H,3H2
InChIKeyUUBANOUWORQLSO-UHFFFAOYSA-N
XLogP2.04
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.00
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-fluoro-2,3-dihydropyridine?
The IUPAC name of 4-bromo-2-fluoro-2,3-dihydropyridine (CID 155445687) is 4-bromo-2-fluoro-2,3-dihydropyridine.
What is the SMILES notation for 4-bromo-2-fluoro-2,3-dihydropyridine?
The canonical SMILES for 4-bromo-2-fluoro-2,3-dihydropyridine is FC1CC(Br)=CC=N1.
What is the InChIKey of 4-bromo-2-fluoro-2,3-dihydropyridine?
The InChIKey is UUBANOUWORQLSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5BrFN/c6-4-1-2-8-5(7)3-4/h1-2,5H,3H2.
What are the key properties of 4-bromo-2-fluoro-2,3-dihydropyridine?
4-bromo-2-fluoro-2,3-dihydropyridine has a molecular weight of 178.00 g/mol, XLogP of 2.04, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-fluoro-2,3-dihydropyridine is sourced from PubChem (CID 155445687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).