3-(2-bromo-5-chlorophenyl)-1H-pyrrole-2-carboxylic acid

C11H7BrClNO2 — CID 79324522

IUPAC3-(2-bromo-5-chlorophenyl)-1H-pyrrole-2-carboxylic acid
SMILESO=C(O)c1[nH]ccc1-c1cc(Cl)ccc1Br
InChIInChI=1S/C11H7BrClNO2/c12-9-2-1-6(13)5-8(9)7-3-4-14-10(7)11(15)16/h1-5,14H,(H,15,16)
InChIKeyPAFNRIDHDWDLPA-UHFFFAOYSA-N
MW300.54 g/mol
LogP3.80
Rot. Bonds2

About 3-(2-bromo-5-chlorophenyl)-1H-pyrrole-2-carboxylic acid

3-(2-bromo-5-chlorophenyl)-1H-pyrrole-2-carboxylic acid (PubChem CID 79324522) has the molecular formula C11H7BrClNO2 and a molecular weight of 300.54 g/mol. Its IUPAC name is 3-(2-bromo-5-chlorophenyl)-1H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name3-(2-bromo-5-chlorophenyl)-1H-pyrrole-2-carboxylic acid
PubChem CID79324522
Molecular FormulaC11H7BrClNO2
Molecular Weight300.54 g/mol
Exact Mass298.93
IUPAC Name3-(2-bromo-5-chlorophenyl)-1H-pyrrole-2-carboxylic acid
SMILESO=C(O)c1[nH]ccc1-c1cc(Cl)ccc1Br
InChIInChI=1S/C11H7BrClNO2/c12-9-2-1-6(13)5-8(9)7-3-4-14-10(7)11(15)16/h1-5,14H,(H,15,16)
InChIKeyPAFNRIDHDWDLPA-UHFFFAOYSA-N
XLogP3.80
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.54
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-5-chlorophenyl)-1H-pyrrole-2-carboxylic acid?
The IUPAC name of 3-(2-bromo-5-chlorophenyl)-1H-pyrrole-2-carboxylic acid (CID 79324522) is 3-(2-bromo-5-chlorophenyl)-1H-pyrrole-2-carboxylic acid.
What is the SMILES notation for 3-(2-bromo-5-chlorophenyl)-1H-pyrrole-2-carboxylic acid?
The canonical SMILES for 3-(2-bromo-5-chlorophenyl)-1H-pyrrole-2-carboxylic acid is O=C(O)c1[nH]ccc1-c1cc(Cl)ccc1Br.
What is the InChIKey of 3-(2-bromo-5-chlorophenyl)-1H-pyrrole-2-carboxylic acid?
The InChIKey is PAFNRIDHDWDLPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrClNO2/c12-9-2-1-6(13)5-8(9)7-3-4-14-10(7)11(15)16/h1-5,14H,(H,15,16).
What are the key properties of 3-(2-bromo-5-chlorophenyl)-1H-pyrrole-2-carboxylic acid?
3-(2-bromo-5-chlorophenyl)-1H-pyrrole-2-carboxylic acid has a molecular weight of 300.54 g/mol, XLogP of 3.80, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-5-chlorophenyl)-1H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 79324522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).