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

C5H5BrFN — CID 147602088

IUPAC3-bromo-5-fluoro-1,2-dihydropyridine
SMILESFC1=CNCC(Br)=C1
InChIInChI=1S/C5H5BrFN/c6-4-1-5(7)3-8-2-4/h1,3,8H,2H2
InChIKeyZVEVJYAJGYYUES-UHFFFAOYSA-N
MW178.00 g/mol
LogP1.68
Rot. Bonds

About 3-bromo-5-fluoro-1,2-dihydropyridine

3-bromo-5-fluoro-1,2-dihydropyridine (PubChem CID 147602088) has the molecular formula C5H5BrFN and a molecular weight of 178.00 g/mol. Its IUPAC name is 3-bromo-5-fluoro-1,2-dihydropyridine.

Molecular Properties

Compound Name3-bromo-5-fluoro-1,2-dihydropyridine
PubChem CID147602088
Molecular FormulaC5H5BrFN
Molecular Weight178.00 g/mol
Exact Mass176.96
IUPAC Name3-bromo-5-fluoro-1,2-dihydropyridine
SMILESFC1=CNCC(Br)=C1
InChIInChI=1S/C5H5BrFN/c6-4-1-5(7)3-8-2-4/h1,3,8H,2H2
InChIKeyZVEVJYAJGYYUES-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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Related Compounds

Dihydropyridine dibromide
CID 18619800
5-Bromo-2-fluoro-1,2-dihydropyridine
CID 23120570
2,3,5-Trifluoro-1,2-dihydropyridine
CID 23221433
3,5-Difluoro-1,2-dihydropyridine
CID 23296065
2-Bromo-2-fluoropyridine
CID 67998121
3-Bromo-2-fluoro-1,2-dihydropyridine
CID 89129409
5-Bromo-3-fluoro-1,2-dihydropyridin-2-amine
CID 122497258
3-Bromo-6-fluoro-1,2-dihydropyridine
CID 126729724
4-Bromo-5-fluoro-1,2-dihydropyridine
CID 141279718
3-bromo-5-fluoro-2H-pyridin-1-ide
CID 147602087
3-Bromo-5,6-difluoro-1,2-dihydropyridine
CID 156033067
5-Bromo-3-chloro-6-fluoro-1,2-dihydropyridine
CID 171049279

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-fluoro-1,2-dihydropyridine?
The IUPAC name of 3-bromo-5-fluoro-1,2-dihydropyridine (CID 147602088) is 3-bromo-5-fluoro-1,2-dihydropyridine.
What is the SMILES notation for 3-bromo-5-fluoro-1,2-dihydropyridine?
The canonical SMILES for 3-bromo-5-fluoro-1,2-dihydropyridine is FC1=CNCC(Br)=C1.
What is the InChIKey of 3-bromo-5-fluoro-1,2-dihydropyridine?
The InChIKey is ZVEVJYAJGYYUES-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5BrFN/c6-4-1-5(7)3-8-2-4/h1,3,8H,2H2.
What are the key properties of 3-bromo-5-fluoro-1,2-dihydropyridine?
3-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 3-bromo-5-fluoro-1,2-dihydropyridine is sourced from PubChem (CID 147602088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).