6-(4-bromo-2,6-difluorophenyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole

C11H8BrF2N3 — CID 134532208

IUPAC6-(4-bromo-2,6-difluorophenyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole
SMILESFc1cc(Br)cc(F)c1C1Cc2nncn2C1
InChIInChI=1S/C11H8BrF2N3/c12-7-2-8(13)11(9(14)3-7)6-1-10-16-15-5-17(10)4-6/h2-3,5-6H,1,4H2
InChIKeySXYBTJICJRYEOR-UHFFFAOYSA-N
MW300.11 g/mol
LogP2.66
Rot. Bonds1

About 6-(4-bromo-2,6-difluorophenyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole

6-(4-bromo-2,6-difluorophenyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole (PubChem CID 134532208) has the molecular formula C11H8BrF2N3 and a molecular weight of 300.11 g/mol. Its IUPAC name is 6-(4-bromo-2,6-difluorophenyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole.

Molecular Properties

Compound Name6-(4-bromo-2,6-difluorophenyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole
PubChem CID134532208
Molecular FormulaC11H8BrF2N3
Molecular Weight300.11 g/mol
Exact Mass298.99
IUPAC Name6-(4-bromo-2,6-difluorophenyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole
SMILESFc1cc(Br)cc(F)c1C1Cc2nncn2C1
InChIInChI=1S/C11H8BrF2N3/c12-7-2-8(13)11(9(14)3-7)6-1-10-16-15-5-17(10)4-6/h2-3,5-6H,1,4H2
InChIKeySXYBTJICJRYEOR-UHFFFAOYSA-N
XLogP2.66
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.11
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(4-bromo-2,6-difluorophenyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole?
The IUPAC name of 6-(4-bromo-2,6-difluorophenyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole (CID 134532208) is 6-(4-bromo-2,6-difluorophenyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole.
What is the SMILES notation for 6-(4-bromo-2,6-difluorophenyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole?
The canonical SMILES for 6-(4-bromo-2,6-difluorophenyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole is Fc1cc(Br)cc(F)c1C1Cc2nncn2C1.
What is the InChIKey of 6-(4-bromo-2,6-difluorophenyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole?
The InChIKey is SXYBTJICJRYEOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrF2N3/c12-7-2-8(13)11(9(14)3-7)6-1-10-16-15-5-17(10)4-6/h2-3,5-6H,1,4H2.
What are the key properties of 6-(4-bromo-2,6-difluorophenyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole?
6-(4-bromo-2,6-difluorophenyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole has a molecular weight of 300.11 g/mol, XLogP of 2.66, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromo-2,6-difluorophenyl)-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazole is sourced from PubChem (CID 134532208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).