4-bromo-5-methyl-3H-pyrrole

C5H6BrN — CID 165017750

IUPAC4-bromo-5-methyl-3H-pyrrole
SMILESCC1=C(Br)CC=N1
InChIInChI=1S/C5H6BrN/c1-4-5(6)2-3-7-4/h3H,2H2,1H3
InChIKeySWPWIGGLYPRHBX-UHFFFAOYSA-N
MW160.01 g/mol
LogP2.09
Rot. Bonds

About 4-bromo-5-methyl-3H-pyrrole

4-bromo-5-methyl-3H-pyrrole (PubChem CID 165017750) has the molecular formula C5H6BrN and a molecular weight of 160.01 g/mol. Its IUPAC name is 4-bromo-5-methyl-3H-pyrrole.

Molecular Properties

Compound Name4-bromo-5-methyl-3H-pyrrole
PubChem CID165017750
Molecular FormulaC5H6BrN
Molecular Weight160.01 g/mol
Exact Mass158.97
IUPAC Name4-bromo-5-methyl-3H-pyrrole
SMILESCC1=C(Br)CC=N1
InChIInChI=1S/C5H6BrN/c1-4-5(6)2-3-7-4/h3H,2H2,1H3
InChIKeySWPWIGGLYPRHBX-UHFFFAOYSA-N
XLogP2.09
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.01
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-methyl-3H-pyrrole?
The IUPAC name of 4-bromo-5-methyl-3H-pyrrole (CID 165017750) is 4-bromo-5-methyl-3H-pyrrole.
What is the SMILES notation for 4-bromo-5-methyl-3H-pyrrole?
The canonical SMILES for 4-bromo-5-methyl-3H-pyrrole is CC1=C(Br)CC=N1.
What is the InChIKey of 4-bromo-5-methyl-3H-pyrrole?
The InChIKey is SWPWIGGLYPRHBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6BrN/c1-4-5(6)2-3-7-4/h3H,2H2,1H3.
What are the key properties of 4-bromo-5-methyl-3H-pyrrole?
4-bromo-5-methyl-3H-pyrrole has a molecular weight of 160.01 g/mol, XLogP of 2.09, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-methyl-3H-pyrrole is sourced from PubChem (CID 165017750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).