6-bromo-3-fluoro-3,4-dihydropyridine

C5H5BrFN — CID 152854704

IUPAC6-bromo-3-fluoro-3,4-dihydropyridine
SMILESFC1C=NC(Br)=CC1
InChIInChI=1S/C5H5BrFN/c6-5-2-1-4(7)3-8-5/h2-4H,1H2
InChIKeyTWBMOIHCWSFEEI-UHFFFAOYSA-N
MW178.00 g/mol
LogP2.04
Rot. Bonds

About 6-bromo-3-fluoro-3,4-dihydropyridine

6-bromo-3-fluoro-3,4-dihydropyridine (PubChem CID 152854704) has the molecular formula C5H5BrFN and a molecular weight of 178.00 g/mol. Its IUPAC name is 6-bromo-3-fluoro-3,4-dihydropyridine.

Molecular Properties

Compound Name6-bromo-3-fluoro-3,4-dihydropyridine
PubChem CID152854704
Molecular FormulaC5H5BrFN
Molecular Weight178.00 g/mol
Exact Mass176.96
IUPAC Name6-bromo-3-fluoro-3,4-dihydropyridine
SMILESFC1C=NC(Br)=CC1
InChIInChI=1S/C5H5BrFN/c6-5-2-1-4(7)3-8-5/h2-4H,1H2
InChIKeyTWBMOIHCWSFEEI-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

6-Fluoro-3,4-dihydropyridine
CID 67779683
3-bromo-3-fluoro-4H-pyridine
CID 66876809
N-(3-fluoro-3,4-dihydropyridin-6-yl)methanimine
CID 91428814
3,6-Difluoro-3,4-dihydropyridine
CID 156184120
N-[(E)-5-bromo-1-fluoropent-1-enyl]propan-1-imine
CID 173834410
6-Bromo-5-fluoro-3,4-dihydropyridine
CID 177992784
6-Bromo-3,4-dihydropyridine
CID 68213020
5-bromo-3H-pyrrole
CID 90348664

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-fluoro-3,4-dihydropyridine?
The IUPAC name of 6-bromo-3-fluoro-3,4-dihydropyridine (CID 152854704) is 6-bromo-3-fluoro-3,4-dihydropyridine.
What is the SMILES notation for 6-bromo-3-fluoro-3,4-dihydropyridine?
The canonical SMILES for 6-bromo-3-fluoro-3,4-dihydropyridine is FC1C=NC(Br)=CC1.
What is the InChIKey of 6-bromo-3-fluoro-3,4-dihydropyridine?
The InChIKey is TWBMOIHCWSFEEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5BrFN/c6-5-2-1-4(7)3-8-5/h2-4H,1H2.
What are the key properties of 6-bromo-3-fluoro-3,4-dihydropyridine?
6-bromo-3-fluoro-3,4-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 6-bromo-3-fluoro-3,4-dihydropyridine is sourced from PubChem (CID 152854704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).