2-bromo-6-(bromomethyl)-3-fluoro-1,2-dihydropyridine

C6H6Br2FN — CID 121366887

IUPAC2-bromo-6-(bromomethyl)-3-fluoro-1,2-dihydropyridine
SMILESFC1=CC=C(CBr)NC1Br
InChIInChI=1S/C6H6Br2FN/c7-3-4-1-2-5(9)6(8)10-4/h1-2,6,10H,3H2
InChIKeyJGCXODPEINTBHH-UHFFFAOYSA-N
MW270.93 g/mol
LogP2.44
Rot. Bonds1

About 2-bromo-6-(bromomethyl)-3-fluoro-1,2-dihydropyridine

2-bromo-6-(bromomethyl)-3-fluoro-1,2-dihydropyridine (PubChem CID 121366887) has the molecular formula C6H6Br2FN and a molecular weight of 270.93 g/mol. Its IUPAC name is 2-bromo-6-(bromomethyl)-3-fluoro-1,2-dihydropyridine.

Molecular Properties

Compound Name2-bromo-6-(bromomethyl)-3-fluoro-1,2-dihydropyridine
PubChem CID121366887
Molecular FormulaC6H6Br2FN
Molecular Weight270.93 g/mol
Exact Mass268.89
IUPAC Name2-bromo-6-(bromomethyl)-3-fluoro-1,2-dihydropyridine
SMILESFC1=CC=C(CBr)NC1Br
InChIInChI=1S/C6H6Br2FN/c7-3-4-1-2-5(9)6(8)10-4/h1-2,6,10H,3H2
InChIKeyJGCXODPEINTBHH-UHFFFAOYSA-N
XLogP2.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.93
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-(bromomethyl)-3-fluoro-1,2-dihydropyridine?
The IUPAC name of 2-bromo-6-(bromomethyl)-3-fluoro-1,2-dihydropyridine (CID 121366887) is 2-bromo-6-(bromomethyl)-3-fluoro-1,2-dihydropyridine.
What is the SMILES notation for 2-bromo-6-(bromomethyl)-3-fluoro-1,2-dihydropyridine?
The canonical SMILES for 2-bromo-6-(bromomethyl)-3-fluoro-1,2-dihydropyridine is FC1=CC=C(CBr)NC1Br.
What is the InChIKey of 2-bromo-6-(bromomethyl)-3-fluoro-1,2-dihydropyridine?
The InChIKey is JGCXODPEINTBHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6Br2FN/c7-3-4-1-2-5(9)6(8)10-4/h1-2,6,10H,3H2.
What are the key properties of 2-bromo-6-(bromomethyl)-3-fluoro-1,2-dihydropyridine?
2-bromo-6-(bromomethyl)-3-fluoro-1,2-dihydropyridine has a molecular weight of 270.93 g/mol, XLogP of 2.44, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-(bromomethyl)-3-fluoro-1,2-dihydropyridine is sourced from PubChem (CID 121366887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).