4-bromo-2H-pyrrole

C4H4BrN — CID 59255348

IUPAC4-bromo-2H-pyrrole
SMILESBrC1=CCN=C1
InChIInChI=1S/C4H4BrN/c5-4-1-2-6-3-4/h1,3H,2H2
InChIKeyLRLKXYXAVUMTAY-UHFFFAOYSA-N
MW145.99 g/mol
LogP1.35
Rot. Bonds

About 4-bromo-2H-pyrrole

4-bromo-2H-pyrrole (PubChem CID 59255348) has the molecular formula C4H4BrN and a molecular weight of 145.99 g/mol. Its IUPAC name is 4-bromo-2H-pyrrole.

Molecular Properties

Compound Name4-bromo-2H-pyrrole
PubChem CID59255348
Molecular FormulaC4H4BrN
Molecular Weight145.99 g/mol
Exact Mass144.95
IUPAC Name4-bromo-2H-pyrrole
SMILESBrC1=CCN=C1
InChIInChI=1S/C4H4BrN/c5-4-1-2-6-3-4/h1,3H,2H2
InChIKeyLRLKXYXAVUMTAY-UHFFFAOYSA-N
XLogP1.35
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.99
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2H-pyrrole?
The IUPAC name of 4-bromo-2H-pyrrole (CID 59255348) is 4-bromo-2H-pyrrole.
What is the SMILES notation for 4-bromo-2H-pyrrole?
The canonical SMILES for 4-bromo-2H-pyrrole is BrC1=CCN=C1.
What is the InChIKey of 4-bromo-2H-pyrrole?
The InChIKey is LRLKXYXAVUMTAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4BrN/c5-4-1-2-6-3-4/h1,3H,2H2.
What are the key properties of 4-bromo-2H-pyrrole?
4-bromo-2H-pyrrole has a molecular weight of 145.99 g/mol, XLogP of 1.35, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2H-pyrrole is sourced from PubChem (CID 59255348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).