1-(2,6-dibromo-4-fluorophenyl)pyrrole

C10H6Br2FN — CID 2798547

IUPAC1-(2,6-dibromo-4-fluorophenyl)pyrrole
SMILESFc1cc(Br)c(-n2cccc2)c(Br)c1
InChIInChI=1S/C10H6Br2FN/c11-8-5-7(13)6-9(12)10(8)14-3-1-2-4-14/h1-6H
InChIKeyUJSSQQHLMWAPNU-UHFFFAOYSA-N
MW318.97 g/mol
LogP4.14
Rot. Bonds1

About 1-(2,6-dibromo-4-fluorophenyl)pyrrole

1-(2,6-dibromo-4-fluorophenyl)pyrrole (PubChem CID 2798547) has the molecular formula C10H6Br2FN and a molecular weight of 318.97 g/mol. Its IUPAC name is 1-(2,6-dibromo-4-fluorophenyl)pyrrole.

Molecular Properties

Compound Name1-(2,6-dibromo-4-fluorophenyl)pyrrole
PubChem CID2798547
Molecular FormulaC10H6Br2FN
Molecular Weight318.97 g/mol
Exact Mass316.89
IUPAC Name1-(2,6-dibromo-4-fluorophenyl)pyrrole
SMILESFc1cc(Br)c(-n2cccc2)c(Br)c1
InChIInChI=1S/C10H6Br2FN/c11-8-5-7(13)6-9(12)10(8)14-3-1-2-4-14/h1-6H
InChIKeyUJSSQQHLMWAPNU-UHFFFAOYSA-N
XLogP4.14
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.97
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dibromo-4-fluorophenyl)pyrrole?
The IUPAC name of 1-(2,6-dibromo-4-fluorophenyl)pyrrole (CID 2798547) is 1-(2,6-dibromo-4-fluorophenyl)pyrrole.
What is the SMILES notation for 1-(2,6-dibromo-4-fluorophenyl)pyrrole?
The canonical SMILES for 1-(2,6-dibromo-4-fluorophenyl)pyrrole is Fc1cc(Br)c(-n2cccc2)c(Br)c1.
What is the InChIKey of 1-(2,6-dibromo-4-fluorophenyl)pyrrole?
The InChIKey is UJSSQQHLMWAPNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Br2FN/c11-8-5-7(13)6-9(12)10(8)14-3-1-2-4-14/h1-6H.
What are the key properties of 1-(2,6-dibromo-4-fluorophenyl)pyrrole?
1-(2,6-dibromo-4-fluorophenyl)pyrrole has a molecular weight of 318.97 g/mol, XLogP of 4.14, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dibromo-4-fluorophenyl)pyrrole is sourced from PubChem (CID 2798547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).