3-(3-bromophenyl)-1H-pyrrole-2-carboxylic acid

C11H8BrNO2 — CID 79035608

IUPAC3-(3-bromophenyl)-1H-pyrrole-2-carboxylic acid
SMILESO=C(O)c1[nH]ccc1-c1cccc(Br)c1
InChIInChI=1S/C11H8BrNO2/c12-8-3-1-2-7(6-8)9-4-5-13-10(9)11(14)15/h1-6,13H,(H,14,15)
InChIKeyXQXMJXKBWCBUNY-UHFFFAOYSA-N
MW266.09 g/mol
LogP3.14
Rot. Bonds2

About 3-(3-bromophenyl)-1H-pyrrole-2-carboxylic acid

3-(3-bromophenyl)-1H-pyrrole-2-carboxylic acid (PubChem CID 79035608) has the molecular formula C11H8BrNO2 and a molecular weight of 266.09 g/mol. Its IUPAC name is 3-(3-bromophenyl)-1H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name3-(3-bromophenyl)-1H-pyrrole-2-carboxylic acid
PubChem CID79035608
Molecular FormulaC11H8BrNO2
Molecular Weight266.09 g/mol
Exact Mass264.97
IUPAC Name3-(3-bromophenyl)-1H-pyrrole-2-carboxylic acid
SMILESO=C(O)c1[nH]ccc1-c1cccc(Br)c1
InChIInChI=1S/C11H8BrNO2/c12-8-3-1-2-7(6-8)9-4-5-13-10(9)11(14)15/h1-6,13H,(H,14,15)
InChIKeyXQXMJXKBWCBUNY-UHFFFAOYSA-N
XLogP3.14
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.09
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)-1H-pyrrole-2-carboxylic acid?
The IUPAC name of 3-(3-bromophenyl)-1H-pyrrole-2-carboxylic acid (CID 79035608) is 3-(3-bromophenyl)-1H-pyrrole-2-carboxylic acid.
What is the SMILES notation for 3-(3-bromophenyl)-1H-pyrrole-2-carboxylic acid?
The canonical SMILES for 3-(3-bromophenyl)-1H-pyrrole-2-carboxylic acid is O=C(O)c1[nH]ccc1-c1cccc(Br)c1.
What is the InChIKey of 3-(3-bromophenyl)-1H-pyrrole-2-carboxylic acid?
The InChIKey is XQXMJXKBWCBUNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrNO2/c12-8-3-1-2-7(6-8)9-4-5-13-10(9)11(14)15/h1-6,13H,(H,14,15).
What are the key properties of 3-(3-bromophenyl)-1H-pyrrole-2-carboxylic acid?
3-(3-bromophenyl)-1H-pyrrole-2-carboxylic acid has a molecular weight of 266.09 g/mol, XLogP of 3.14, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)-1H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 79035608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).