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

C6H7BrFN — CID 118196257

IUPAC5-bromo-2-fluoro-6-methyl-2,3-dihydropyridine
SMILESCC1=NC(F)CC=C1Br
InChIInChI=1S/C6H7BrFN/c1-4-5(7)2-3-6(8)9-4/h2,6H,3H2,1H3
InChIKeySASSJHMYBNGYJD-UHFFFAOYSA-N
MW192.03 g/mol
LogP2.43
Rot. Bonds

About 5-bromo-2-fluoro-6-methyl-2,3-dihydropyridine

5-bromo-2-fluoro-6-methyl-2,3-dihydropyridine (PubChem CID 118196257) has the molecular formula C6H7BrFN and a molecular weight of 192.03 g/mol. Its IUPAC name is 5-bromo-2-fluoro-6-methyl-2,3-dihydropyridine.

Molecular Properties

Compound Name5-bromo-2-fluoro-6-methyl-2,3-dihydropyridine
PubChem CID118196257
Molecular FormulaC6H7BrFN
Molecular Weight192.03 g/mol
Exact Mass190.97
IUPAC Name5-bromo-2-fluoro-6-methyl-2,3-dihydropyridine
SMILESCC1=NC(F)CC=C1Br
InChIInChI=1S/C6H7BrFN/c1-4-5(7)2-3-6(8)9-4/h2,6H,3H2,1H3
InChIKeySASSJHMYBNGYJD-UHFFFAOYSA-N
XLogP2.43
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.03
LogP ≤ 52.43
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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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-fluoro-6-methyl-2,3-dihydropyridine?
The IUPAC name of 5-bromo-2-fluoro-6-methyl-2,3-dihydropyridine (CID 118196257) is 5-bromo-2-fluoro-6-methyl-2,3-dihydropyridine.
What is the SMILES notation for 5-bromo-2-fluoro-6-methyl-2,3-dihydropyridine?
The canonical SMILES for 5-bromo-2-fluoro-6-methyl-2,3-dihydropyridine is CC1=NC(F)CC=C1Br.
What is the InChIKey of 5-bromo-2-fluoro-6-methyl-2,3-dihydropyridine?
The InChIKey is SASSJHMYBNGYJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrFN/c1-4-5(7)2-3-6(8)9-4/h2,6H,3H2,1H3.
What are the key properties of 5-bromo-2-fluoro-6-methyl-2,3-dihydropyridine?
5-bromo-2-fluoro-6-methyl-2,3-dihydropyridine has a molecular weight of 192.03 g/mol, XLogP of 2.43, 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-6-methyl-2,3-dihydropyridine is sourced from PubChem (CID 118196257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).