5-(2-bromo-4-fluorophenyl)-2-methyl-3,4-dihydro-2H-pyrrole

C11H11BrFN — CID 146633765

IUPAC5-(2-bromo-4-fluorophenyl)-2-methyl-3,4-dihydro-2H-pyrrole
SMILESCC1CCC(c2ccc(F)cc2Br)=N1
InChIInChI=1S/C11H11BrFN/c1-7-2-5-11(14-7)9-4-3-8(13)6-10(9)12/h3-4,6-7H,2,5H2,1H3
InChIKeyAHQVQIOFPXIDKD-UHFFFAOYSA-N
MW256.12 g/mol
LogP3.56
Rot. Bonds1

About 5-(2-bromo-4-fluorophenyl)-2-methyl-3,4-dihydro-2H-pyrrole

5-(2-bromo-4-fluorophenyl)-2-methyl-3,4-dihydro-2H-pyrrole (PubChem CID 146633765) has the molecular formula C11H11BrFN and a molecular weight of 256.12 g/mol. Its IUPAC name is 5-(2-bromo-4-fluorophenyl)-2-methyl-3,4-dihydro-2H-pyrrole.

Molecular Properties

Compound Name5-(2-bromo-4-fluorophenyl)-2-methyl-3,4-dihydro-2H-pyrrole
PubChem CID146633765
Molecular FormulaC11H11BrFN
Molecular Weight256.12 g/mol
Exact Mass255.01
IUPAC Name5-(2-bromo-4-fluorophenyl)-2-methyl-3,4-dihydro-2H-pyrrole
SMILESCC1CCC(c2ccc(F)cc2Br)=N1
InChIInChI=1S/C11H11BrFN/c1-7-2-5-11(14-7)9-4-3-8(13)6-10(9)12/h3-4,6-7H,2,5H2,1H3
InChIKeyAHQVQIOFPXIDKD-UHFFFAOYSA-N
XLogP3.56
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.12
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(2-bromo-4-fluorophenyl)-2-methyl-3,4-dihydro-2H-pyrrole?
The IUPAC name of 5-(2-bromo-4-fluorophenyl)-2-methyl-3,4-dihydro-2H-pyrrole (CID 146633765) is 5-(2-bromo-4-fluorophenyl)-2-methyl-3,4-dihydro-2H-pyrrole.
What is the SMILES notation for 5-(2-bromo-4-fluorophenyl)-2-methyl-3,4-dihydro-2H-pyrrole?
The canonical SMILES for 5-(2-bromo-4-fluorophenyl)-2-methyl-3,4-dihydro-2H-pyrrole is CC1CCC(c2ccc(F)cc2Br)=N1.
What is the InChIKey of 5-(2-bromo-4-fluorophenyl)-2-methyl-3,4-dihydro-2H-pyrrole?
The InChIKey is AHQVQIOFPXIDKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrFN/c1-7-2-5-11(14-7)9-4-3-8(13)6-10(9)12/h3-4,6-7H,2,5H2,1H3.
What are the key properties of 5-(2-bromo-4-fluorophenyl)-2-methyl-3,4-dihydro-2H-pyrrole?
5-(2-bromo-4-fluorophenyl)-2-methyl-3,4-dihydro-2H-pyrrole has a molecular weight of 256.12 g/mol, XLogP of 3.56, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromo-4-fluorophenyl)-2-methyl-3,4-dihydro-2H-pyrrole is sourced from PubChem (CID 146633765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).