6-bromo-3-fluoro-2,3-dihydropyridine

C5H5BrFN — CID 123887504

IUPAC6-bromo-3-fluoro-2,3-dihydropyridine
SMILESFC1C=CC(Br)=NC1
InChIInChI=1S/C5H5BrFN/c6-5-2-1-4(7)3-8-5/h1-2,4H,3H2
InChIKeyKOEMWSZSECZYFU-UHFFFAOYSA-N
MW178.00 g/mol
LogP1.69
Rot. Bonds

About 6-bromo-3-fluoro-2,3-dihydropyridine

6-bromo-3-fluoro-2,3-dihydropyridine (PubChem CID 123887504) has the molecular formula C5H5BrFN and a molecular weight of 178.00 g/mol. Its IUPAC name is 6-bromo-3-fluoro-2,3-dihydropyridine.

Molecular Properties

Compound Name6-bromo-3-fluoro-2,3-dihydropyridine
PubChem CID123887504
Molecular FormulaC5H5BrFN
Molecular Weight178.00 g/mol
Exact Mass176.96
IUPAC Name6-bromo-3-fluoro-2,3-dihydropyridine
SMILESFC1C=CC(Br)=NC1
InChIInChI=1S/C5H5BrFN/c6-5-2-1-4(7)3-8-5/h1-2,4H,3H2
InChIKeyKOEMWSZSECZYFU-UHFFFAOYSA-N
XLogP1.69
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 ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-Fluoro-2,3-dihydropyridine
CID 54085820
3-Fluoro-2,3-dihydropyridine
CID 68024004
6-Bromo-3-fluoro-4-iodo-2,3-dihydropyridine
CID 68266600
2,6-Difluoro-2,3-dihydropyridine
CID 134567908
6-bromo-3-fluoro-3-methyl-2H-pyridine
CID 142799745
7-bromo-4-fluoro-4H-azepine
CID 143189914
3-Bromo-6-(difluoromethyl)-2,3-dihydropyridine
CID 144192280
6-Fluoro-2,3-dihydropyridine
CID 145228643
6-Bromo-3,5-difluoro-2,3-dihydropyridine
CID 146397651
4-Bromo-2-fluoro-2,3-dihydropyridine
CID 155445687
5-Bromo-2-fluoro-2,3-dihydropyridine
CID 163729763
3-bromo-3-(trifluoromethyl)-2H-pyridine
CID 149605722

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-fluoro-2,3-dihydropyridine?
The IUPAC name of 6-bromo-3-fluoro-2,3-dihydropyridine (CID 123887504) is 6-bromo-3-fluoro-2,3-dihydropyridine.
What is the SMILES notation for 6-bromo-3-fluoro-2,3-dihydropyridine?
The canonical SMILES for 6-bromo-3-fluoro-2,3-dihydropyridine is FC1C=CC(Br)=NC1.
What is the InChIKey of 6-bromo-3-fluoro-2,3-dihydropyridine?
The InChIKey is KOEMWSZSECZYFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5BrFN/c6-5-2-1-4(7)3-8-5/h1-2,4H,3H2.
What are the key properties of 6-bromo-3-fluoro-2,3-dihydropyridine?
6-bromo-3-fluoro-2,3-dihydropyridine has a molecular weight of 178.00 g/mol, XLogP of 1.69, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-fluoro-2,3-dihydropyridine is sourced from PubChem (CID 123887504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).