1-benzyl-2,3,4-tribromopyrrole

C11H8Br3N — CID 12713072

IUPAC1-benzyl-2,3,4-tribromopyrrole
SMILESBrc1cn(Cc2ccccc2)c(Br)c1Br
InChIInChI=1S/C11H8Br3N/c12-9-7-15(11(14)10(9)13)6-8-4-2-1-3-5-8/h1-5,7H,6H2
InChIKeyRVFLITUIWMMTJV-UHFFFAOYSA-N
MW393.90 g/mol
LogP4.82
Rot. Bonds2

About 1-benzyl-2,3,4-tribromopyrrole

1-benzyl-2,3,4-tribromopyrrole (PubChem CID 12713072) has the molecular formula C11H8Br3N and a molecular weight of 393.90 g/mol. Its IUPAC name is 1-benzyl-2,3,4-tribromopyrrole.

Molecular Properties

Compound Name1-benzyl-2,3,4-tribromopyrrole
PubChem CID12713072
Molecular FormulaC11H8Br3N
Molecular Weight393.90 g/mol
Exact Mass390.82
IUPAC Name1-benzyl-2,3,4-tribromopyrrole
SMILESBrc1cn(Cc2ccccc2)c(Br)c1Br
InChIInChI=1S/C11H8Br3N/c12-9-7-15(11(14)10(9)13)6-8-4-2-1-3-5-8/h1-5,7H,6H2
InChIKeyRVFLITUIWMMTJV-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-bromo-3-methylpyrrole
CID 139840264
1-benzyl-5-bromopyridin-2-one
CID 15395936
1-benzyl-2,3,5-tribromopyrrole
CID 12713073
1-benzyl-3-bromo-4-ethoxyindole
CID 173153674
1,3-dibenzyl-5-[(1,3-dibenzyl-2,4-dioxopyrimidin-5-yl)methyl]pyrimidine-2,4-dione
CID 10188830
3-benzyl-4-bromo-5-phenyl-1,3-oxazol-2-one
CID 164685094
3-amino-1-benzyl-5-bromopyridin-2-one
CID 90251201
3-benzyl-5-bromo-6-methylpyrimidin-4-one
CID 66308961
1-benzyl-2-iodopyrrole
CID 139840262
1-benzyl-2-bromo-4-(4-chlorophenyl)imidazole
CID 163216979
1-benzyl-4-bromo-6-fluoroindole
CID 174577859
1-benzyl-2-chloro-4-methylpyrrole
CID 139840309

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2,3,4-tribromopyrrole?
The IUPAC name of 1-benzyl-2,3,4-tribromopyrrole (CID 12713072) is 1-benzyl-2,3,4-tribromopyrrole.
What is the SMILES notation for 1-benzyl-2,3,4-tribromopyrrole?
The canonical SMILES for 1-benzyl-2,3,4-tribromopyrrole is Brc1cn(Cc2ccccc2)c(Br)c1Br.
What is the InChIKey of 1-benzyl-2,3,4-tribromopyrrole?
The InChIKey is RVFLITUIWMMTJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Br3N/c12-9-7-15(11(14)10(9)13)6-8-4-2-1-3-5-8/h1-5,7H,6H2.
What are the key properties of 1-benzyl-2,3,4-tribromopyrrole?
1-benzyl-2,3,4-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-2,3,4-tribromopyrrole is sourced from PubChem (CID 12713072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).