2-bromo-5-fluoro-3,4-dihydropyridine

C5H5BrFN — CID 142529839

IUPAC2-bromo-5-fluoro-3,4-dihydropyridine
SMILESFC1=CN=C(Br)CC1
InChIInChI=1S/C5H5BrFN/c6-5-2-1-4(7)3-8-5/h3H,1-2H2
InChIKeyCCWOLSRWBGXNCY-UHFFFAOYSA-N
MW178.00 g/mol
LogP2.38
Rot. Bonds

About 2-bromo-5-fluoro-3,4-dihydropyridine

2-bromo-5-fluoro-3,4-dihydropyridine (PubChem CID 142529839) has the molecular formula C5H5BrFN and a molecular weight of 178.00 g/mol. Its IUPAC name is 2-bromo-5-fluoro-3,4-dihydropyridine.

Molecular Properties

Compound Name2-bromo-5-fluoro-3,4-dihydropyridine
PubChem CID142529839
Molecular FormulaC5H5BrFN
Molecular Weight178.00 g/mol
Exact Mass176.96
IUPAC Name2-bromo-5-fluoro-3,4-dihydropyridine
SMILESFC1=CN=C(Br)CC1
InChIInChI=1S/C5H5BrFN/c6-5-2-1-4(7)3-8-5/h3H,1-2H2
InChIKeyCCWOLSRWBGXNCY-UHFFFAOYSA-N
XLogP2.38
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 ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-fluoro-3,4-dihydropyridine?
The IUPAC name of 2-bromo-5-fluoro-3,4-dihydropyridine (CID 142529839) is 2-bromo-5-fluoro-3,4-dihydropyridine.
What is the SMILES notation for 2-bromo-5-fluoro-3,4-dihydropyridine?
The canonical SMILES for 2-bromo-5-fluoro-3,4-dihydropyridine is FC1=CN=C(Br)CC1.
What is the InChIKey of 2-bromo-5-fluoro-3,4-dihydropyridine?
The InChIKey is CCWOLSRWBGXNCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5BrFN/c6-5-2-1-4(7)3-8-5/h3H,1-2H2.
What are the key properties of 2-bromo-5-fluoro-3,4-dihydropyridine?
2-bromo-5-fluoro-3,4-dihydropyridine has a molecular weight of 178.00 g/mol, XLogP of 2.38, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-fluoro-3,4-dihydropyridine is sourced from PubChem (CID 142529839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).