4-bromo-1-(2-phenylphenyl)pyrrole-2-carboxylic acid

C17H12BrNO2 — CID 114603850

IUPAC4-bromo-1-(2-phenylphenyl)pyrrole-2-carboxylic acid
SMILESO=C(O)c1cc(Br)cn1-c1ccccc1-c1ccccc1
InChIInChI=1S/C17H12BrNO2/c18-13-10-16(17(20)21)19(11-13)15-9-5-4-8-14(15)12-6-2-1-3-7-12/h1-11H,(H,20,21)
InChIKeyGQYANCUMVSTORF-UHFFFAOYSA-N
MW342.19 g/mol
LogP4.61
Rot. Bonds3

About 4-bromo-1-(2-phenylphenyl)pyrrole-2-carboxylic acid

4-bromo-1-(2-phenylphenyl)pyrrole-2-carboxylic acid (PubChem CID 114603850) has the molecular formula C17H12BrNO2 and a molecular weight of 342.19 g/mol. Its IUPAC name is 4-bromo-1-(2-phenylphenyl)pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4-bromo-1-(2-phenylphenyl)pyrrole-2-carboxylic acid
PubChem CID114603850
Molecular FormulaC17H12BrNO2
Molecular Weight342.19 g/mol
Exact Mass341.01
IUPAC Name4-bromo-1-(2-phenylphenyl)pyrrole-2-carboxylic acid
SMILESO=C(O)c1cc(Br)cn1-c1ccccc1-c1ccccc1
InChIInChI=1S/C17H12BrNO2/c18-13-10-16(17(20)21)19(11-13)15-9-5-4-8-14(15)12-6-2-1-3-7-12/h1-11H,(H,20,21)
InChIKeyGQYANCUMVSTORF-UHFFFAOYSA-N
XLogP4.61
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.19
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-(2-phenylphenyl)pyrrole-2-carboxylic acid?
The IUPAC name of 4-bromo-1-(2-phenylphenyl)pyrrole-2-carboxylic acid (CID 114603850) is 4-bromo-1-(2-phenylphenyl)pyrrole-2-carboxylic acid.
What is the SMILES notation for 4-bromo-1-(2-phenylphenyl)pyrrole-2-carboxylic acid?
The canonical SMILES for 4-bromo-1-(2-phenylphenyl)pyrrole-2-carboxylic acid is O=C(O)c1cc(Br)cn1-c1ccccc1-c1ccccc1.
What is the InChIKey of 4-bromo-1-(2-phenylphenyl)pyrrole-2-carboxylic acid?
The InChIKey is GQYANCUMVSTORF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrNO2/c18-13-10-16(17(20)21)19(11-13)15-9-5-4-8-14(15)12-6-2-1-3-7-12/h1-11H,(H,20,21).
What are the key properties of 4-bromo-1-(2-phenylphenyl)pyrrole-2-carboxylic acid?
4-bromo-1-(2-phenylphenyl)pyrrole-2-carboxylic acid has a molecular weight of 342.19 g/mol, XLogP of 4.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-(2-phenylphenyl)pyrrole-2-carboxylic acid is sourced from PubChem (CID 114603850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).