5-(3-bromo-4-methylphenyl)-3H-pyrrol-2-amine

C11H11BrN2 — CID 166686992

IUPAC5-(3-bromo-4-methylphenyl)-3H-pyrrol-2-amine
SMILESCc1ccc(C2=CCC(N)=N2)cc1Br
InChIInChI=1S/C11H11BrN2/c1-7-2-3-8(6-9(7)12)10-4-5-11(13)14-10/h2-4,6H,5H2,1H3,(H2,13,14)
InChIKeyWRUHTJCIQFSBMD-UHFFFAOYSA-N
MW251.13 g/mol
LogP2.86
Rot. Bonds1

About 5-(3-bromo-4-methylphenyl)-3H-pyrrol-2-amine

5-(3-bromo-4-methylphenyl)-3H-pyrrol-2-amine (PubChem CID 166686992) has the molecular formula C11H11BrN2 and a molecular weight of 251.13 g/mol. Its IUPAC name is 5-(3-bromo-4-methylphenyl)-3H-pyrrol-2-amine.

Molecular Properties

Compound Name5-(3-bromo-4-methylphenyl)-3H-pyrrol-2-amine
PubChem CID166686992
Molecular FormulaC11H11BrN2
Molecular Weight251.13 g/mol
Exact Mass250.01
IUPAC Name5-(3-bromo-4-methylphenyl)-3H-pyrrol-2-amine
SMILESCc1ccc(C2=CCC(N)=N2)cc1Br
InChIInChI=1S/C11H11BrN2/c1-7-2-3-8(6-9(7)12)10-4-5-11(13)14-10/h2-4,6H,5H2,1H3,(H2,13,14)
InChIKeyWRUHTJCIQFSBMD-UHFFFAOYSA-N
XLogP2.86
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.13
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(3-bromo-4-methylphenyl)-3H-pyrrol-2-amine?
The IUPAC name of 5-(3-bromo-4-methylphenyl)-3H-pyrrol-2-amine (CID 166686992) is 5-(3-bromo-4-methylphenyl)-3H-pyrrol-2-amine.
What is the SMILES notation for 5-(3-bromo-4-methylphenyl)-3H-pyrrol-2-amine?
The canonical SMILES for 5-(3-bromo-4-methylphenyl)-3H-pyrrol-2-amine is Cc1ccc(C2=CCC(N)=N2)cc1Br.
What is the InChIKey of 5-(3-bromo-4-methylphenyl)-3H-pyrrol-2-amine?
The InChIKey is WRUHTJCIQFSBMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2/c1-7-2-3-8(6-9(7)12)10-4-5-11(13)14-10/h2-4,6H,5H2,1H3,(H2,13,14).
What are the key properties of 5-(3-bromo-4-methylphenyl)-3H-pyrrol-2-amine?
5-(3-bromo-4-methylphenyl)-3H-pyrrol-2-amine has a molecular weight of 251.13 g/mol, XLogP of 2.86, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromo-4-methylphenyl)-3H-pyrrol-2-amine is sourced from PubChem (CID 166686992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).