4-bromo-1-(2,6-dichlorophenyl)pyrrole-2-carboxylic acid

C11H6BrCl2NO2 — CID 66854327

IUPAC4-bromo-1-(2,6-dichlorophenyl)pyrrole-2-carboxylic acid
SMILESO=C(O)c1cc(Br)cn1-c1c(Cl)cccc1Cl
InChIInChI=1S/C11H6BrCl2NO2/c12-6-4-9(11(16)17)15(5-6)10-7(13)2-1-3-8(10)14/h1-5H,(H,16,17)
InChIKeyJSKGEUDHBOACOZ-UHFFFAOYSA-N
MW334.98 g/mol
LogP4.24
Rot. Bonds2

About 4-bromo-1-(2,6-dichlorophenyl)pyrrole-2-carboxylic acid

4-bromo-1-(2,6-dichlorophenyl)pyrrole-2-carboxylic acid (PubChem CID 66854327) has the molecular formula C11H6BrCl2NO2 and a molecular weight of 334.98 g/mol. Its IUPAC name is 4-bromo-1-(2,6-dichlorophenyl)pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4-bromo-1-(2,6-dichlorophenyl)pyrrole-2-carboxylic acid
PubChem CID66854327
Molecular FormulaC11H6BrCl2NO2
Molecular Weight334.98 g/mol
Exact Mass332.90
IUPAC Name4-bromo-1-(2,6-dichlorophenyl)pyrrole-2-carboxylic acid
SMILESO=C(O)c1cc(Br)cn1-c1c(Cl)cccc1Cl
InChIInChI=1S/C11H6BrCl2NO2/c12-6-4-9(11(16)17)15(5-6)10-7(13)2-1-3-8(10)14/h1-5H,(H,16,17)
InChIKeyJSKGEUDHBOACOZ-UHFFFAOYSA-N
XLogP4.24
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.98
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-(2,6-dichlorophenyl)pyrrole-2-carboxylic acid?
The IUPAC name of 4-bromo-1-(2,6-dichlorophenyl)pyrrole-2-carboxylic acid (CID 66854327) is 4-bromo-1-(2,6-dichlorophenyl)pyrrole-2-carboxylic acid.
What is the SMILES notation for 4-bromo-1-(2,6-dichlorophenyl)pyrrole-2-carboxylic acid?
The canonical SMILES for 4-bromo-1-(2,6-dichlorophenyl)pyrrole-2-carboxylic acid is O=C(O)c1cc(Br)cn1-c1c(Cl)cccc1Cl.
What is the InChIKey of 4-bromo-1-(2,6-dichlorophenyl)pyrrole-2-carboxylic acid?
The InChIKey is JSKGEUDHBOACOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrCl2NO2/c12-6-4-9(11(16)17)15(5-6)10-7(13)2-1-3-8(10)14/h1-5H,(H,16,17).
What are the key properties of 4-bromo-1-(2,6-dichlorophenyl)pyrrole-2-carboxylic acid?
4-bromo-1-(2,6-dichlorophenyl)pyrrole-2-carboxylic acid has a molecular weight of 334.98 g/mol, XLogP of 4.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-(2,6-dichlorophenyl)pyrrole-2-carboxylic acid is sourced from PubChem (CID 66854327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).