3-bromo-4-(1H-pyrrol-2-yl)phenol

C₁₀H₈BrNO — CID 162412006

About 3-bromo-4-(1H-pyrrol-2-yl)phenol

3-bromo-4-(1H-pyrrol-2-yl)phenol (PubChem CID 162412006) has the molecular formula C₁₀H₈BrNO and a molecular weight of 238.08 g/mol. Its IUPAC name is 3-bromo-4-(1H-pyrrol-2-yl)phenol.

Molecular Properties

• Compound Name: 3-bromo-4-(1H-pyrrol-2-yl)phenol
• PubChem CID: 162412006
• Molecular Formula: C₁₀H₈BrNO
• Molecular Weight: 238.08 g/mol
• Exact Mass: 236.98
• IUPAC Name: 3-bromo-4-(1H-pyrrol-2-yl)phenol
• SMILES: Oc1ccc(-c2ccc[nH]2)c(Br)c1
• InChI: InChI=1S/C10H8BrNO/c11-9-6-7(13)3-4-8(9)10-2-1-5-12-10/h1-6,12-13H
• InChIKey: SUSBJBQQWIWIIP-UHFFFAOYSA-N
• XLogP: 3.15
• TPSA: 36.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 1
• Rotatable Bonds: 1
• Heavy Atoms: 13
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	238.08
LogP ≤ 5	3.15
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-(1H-pyrrol-2-yl)phenol?

The IUPAC name of 3-bromo-4-(1H-pyrrol-2-yl)phenol (CID 162412006) is 3-bromo-4-(1H-pyrrol-2-yl)phenol.

What is the SMILES notation for 3-bromo-4-(1H-pyrrol-2-yl)phenol?

The canonical SMILES for 3-bromo-4-(1H-pyrrol-2-yl)phenol is Oc1ccc(-c2ccc[nH]2)c(Br)c1.

What is the InChIKey of 3-bromo-4-(1H-pyrrol-2-yl)phenol?

The InChIKey is SUSBJBQQWIWIIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrNO/c11-9-6-7(13)3-4-8(9)10-2-1-5-12-10/h1-6,12-13H.

What are the key properties of 3-bromo-4-(1H-pyrrol-2-yl)phenol?

3-bromo-4-(1H-pyrrol-2-yl)phenol has a molecular weight of 238.08 g/mol, XLogP of 3.15, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromo-4-(1H-pyrrol-2-yl)phenol is sourced from PubChem (CID 162412006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 162412006 — identifiers, structure, computed properties (public domain)

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