1-benzyl-2,3,5-tribromopyrrole

C11H8Br3N — CID 12713073

IUPAC1-benzyl-2,3,5-tribromopyrrole
SMILESBrc1cc(Br)n(Cc2ccccc2)c1Br
InChIInChI=1S/C11H8Br3N/c12-9-6-10(13)15(11(9)14)7-8-4-2-1-3-5-8/h1-6H,7H2
InChIKeyRAQQKGVHENDQEQ-UHFFFAOYSA-N
MW393.90 g/mol
LogP4.82
Rot. Bonds2

About 1-benzyl-2,3,5-tribromopyrrole

1-benzyl-2,3,5-tribromopyrrole (PubChem CID 12713073) has the molecular formula C11H8Br3N and a molecular weight of 393.90 g/mol. Its IUPAC name is 1-benzyl-2,3,5-tribromopyrrole.

Molecular Properties

Compound Name1-benzyl-2,3,5-tribromopyrrole
PubChem CID12713073
Molecular FormulaC11H8Br3N
Molecular Weight393.90 g/mol
Exact Mass390.82
IUPAC Name1-benzyl-2,3,5-tribromopyrrole
SMILESBrc1cc(Br)n(Cc2ccccc2)c1Br
InChIInChI=1S/C11H8Br3N/c12-9-6-10(13)15(11(9)14)7-8-4-2-1-3-5-8/h1-6H,7H2
InChIKeyRAQQKGVHENDQEQ-UHFFFAOYSA-N
XLogP4.82
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.90
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-benzyl-2,5-dichloropyrrole
CID 12713084
1-benzyl-2,3,4-tribromopyrrole
CID 12713072
2,6-dibenzylpyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 633879
9-benzyl-2-bromocarbazole
CID 123133636
1,5-dibenzyl-2-methyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine
CID 21498263
1,2,5-tribenzylpyrrole
CID 15072584
1-benzyl-2,5-dimethylpyrrole;ethane
CID 142383024
3-benzyl-4-bromo-5-phenyl-1,3-oxazol-2-one
CID 164685094
1-benzyl-4-[(2-bromo-4,5-dimethoxyphenyl)methyl]piperazine
CID 1375737
1-benzyl-5-bromo-2,3-dimethylindole
CID 25228820
1-benzyl-5,6-dibromo-2-[(E)-2-phenylethenyl]benzimidazole
CID 163479555
4-benzyl-3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfanyl]-5-methyl-1,2,4-triazole
CID 31840468

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2,3,5-tribromopyrrole?
The IUPAC name of 1-benzyl-2,3,5-tribromopyrrole (CID 12713073) is 1-benzyl-2,3,5-tribromopyrrole.
What is the SMILES notation for 1-benzyl-2,3,5-tribromopyrrole?
The canonical SMILES for 1-benzyl-2,3,5-tribromopyrrole is Brc1cc(Br)n(Cc2ccccc2)c1Br.
What is the InChIKey of 1-benzyl-2,3,5-tribromopyrrole?
The InChIKey is RAQQKGVHENDQEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Br3N/c12-9-6-10(13)15(11(9)14)7-8-4-2-1-3-5-8/h1-6H,7H2.
What are the key properties of 1-benzyl-2,3,5-tribromopyrrole?
1-benzyl-2,3,5-tribromopyrrole has a molecular weight of 393.90 g/mol, XLogP of 4.82, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2,3,5-tribromopyrrole is sourced from PubChem (CID 12713073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).