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

C5H5BrFN — CID 163729763

IUPAC5-bromo-2-fluoro-2,3-dihydropyridine
SMILESFC1CC=C(Br)C=N1
InChIInChI=1S/C5H5BrFN/c6-4-1-2-5(7)8-3-4/h1,3,5H,2H2
InChIKeyKYPOBLBGPRNHMC-UHFFFAOYSA-N
MW178.00 g/mol
LogP2.04
Rot. Bonds

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

5-bromo-2-fluoro-2,3-dihydropyridine (PubChem CID 163729763) has the molecular formula C5H5BrFN and a molecular weight of 178.00 g/mol. Its IUPAC name is 5-bromo-2-fluoro-2,3-dihydropyridine.

Molecular Properties

Compound Name5-bromo-2-fluoro-2,3-dihydropyridine
PubChem CID163729763
Molecular FormulaC5H5BrFN
Molecular Weight178.00 g/mol
Exact Mass176.96
IUPAC Name5-bromo-2-fluoro-2,3-dihydropyridine
SMILESFC1CC=C(Br)C=N1
InChIInChI=1S/C5H5BrFN/c6-4-1-2-5(7)8-3-4/h1,3,5H,2H2
InChIKeyKYPOBLBGPRNHMC-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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Related Compounds

5-bromo-5-fluoro-2H-pyridine
CID 66876808
5-Fluoro-2,3-dihydropyridine
CID 90926903
6-Bromo-3-fluoro-2,3-dihydropyridine
CID 123887504
6-Bromo-3,5-difluoro-2,3-dihydropyridine
CID 146397651
4-Bromo-2-fluoro-2,3-dihydropyridine
CID 155445687
2,5-Difluoro-2,3-dihydropyridine
CID 167066134
5-Bromo-3-(difluoromethyl)-2,3-dihydropyridine
CID 169697345
3-bromo-5-fluoro-3H-pyridine-2-thione
CID 76441041
2,3-Dibromo-5-fluoro-2,3-dihydropyridine
CID 117590605
3-bromo-3-(trifluoromethyl)-2H-pyridine
CID 149605722
3-bromo-2-fluoro-5-methylidene-2H-pyridine
CID 176537407
3-Bromo-2,3-dihydropyridine
CID 18419471

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-fluoro-2,3-dihydropyridine?
The IUPAC name of 5-bromo-2-fluoro-2,3-dihydropyridine (CID 163729763) is 5-bromo-2-fluoro-2,3-dihydropyridine.
What is the SMILES notation for 5-bromo-2-fluoro-2,3-dihydropyridine?
The canonical SMILES for 5-bromo-2-fluoro-2,3-dihydropyridine is FC1CC=C(Br)C=N1.
What is the InChIKey of 5-bromo-2-fluoro-2,3-dihydropyridine?
The InChIKey is KYPOBLBGPRNHMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5BrFN/c6-4-1-2-5(7)8-3-4/h1,3,5H,2H2.
What are the key properties of 5-bromo-2-fluoro-2,3-dihydropyridine?
5-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 5-bromo-2-fluoro-2,3-dihydropyridine is sourced from PubChem (CID 163729763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).