4-bromo-1-(4-bromo-2,3-dichlorophenyl)pyrrole-2-carboxylic acid

C11H5Br2Cl2NO2 — CID 107792709

IUPAC4-bromo-1-(4-bromo-2,3-dichlorophenyl)pyrrole-2-carboxylic acid
SMILESO=C(O)c1cc(Br)cn1-c1ccc(Br)c(Cl)c1Cl
InChIInChI=1S/C11H5Br2Cl2NO2/c12-5-3-8(11(17)18)16(4-5)7-2-1-6(13)9(14)10(7)15/h1-4H,(H,17,18)
InChIKeyDRYRZOSDDAAWBG-UHFFFAOYSA-N
MW413.88 g/mol
LogP5.01
Rot. Bonds2

About 4-bromo-1-(4-bromo-2,3-dichlorophenyl)pyrrole-2-carboxylic acid

4-bromo-1-(4-bromo-2,3-dichlorophenyl)pyrrole-2-carboxylic acid (PubChem CID 107792709) has the molecular formula C11H5Br2Cl2NO2 and a molecular weight of 413.88 g/mol. Its IUPAC name is 4-bromo-1-(4-bromo-2,3-dichlorophenyl)pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4-bromo-1-(4-bromo-2,3-dichlorophenyl)pyrrole-2-carboxylic acid
PubChem CID107792709
Molecular FormulaC11H5Br2Cl2NO2
Molecular Weight413.88 g/mol
Exact Mass410.81
IUPAC Name4-bromo-1-(4-bromo-2,3-dichlorophenyl)pyrrole-2-carboxylic acid
SMILESO=C(O)c1cc(Br)cn1-c1ccc(Br)c(Cl)c1Cl
InChIInChI=1S/C11H5Br2Cl2NO2/c12-5-3-8(11(17)18)16(4-5)7-2-1-6(13)9(14)10(7)15/h1-4H,(H,17,18)
InChIKeyDRYRZOSDDAAWBG-UHFFFAOYSA-N
XLogP5.01
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.88
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

4-bromo-1-(2-bromo-5-chlorophenyl)pyrrole-2-carboxylic acid
CID 114606205
4-bromo-1-(2,5-dibromophenyl)pyrrole-2-carboxylic acid
CID 114604278
4-bromo-1-(2-chloro-4-iodophenyl)pyrrole-2-carboxylic acid
CID 107607535
4-bromo-1-(2-bromo-4-fluorophenyl)pyrrole-2-carboxylic acid
CID 114603698
4-bromo-1-(2,6-dichlorophenyl)pyrrole-2-carboxylic acid
CID 66854327
4-bromo-1-(2,4,5-trifluorophenyl)pyrrole-2-carboxylic acid
CID 114605133
4-bromo-1-(2-phenylphenyl)pyrrole-2-carboxylic acid
CID 114603850
4-bromo-1-(4-chloro-2,5-dimethoxyphenyl)pyrrole-2-carboxylic acid
CID 114603939
4-bromo-1-(4-methylphenyl)pyrrole-2-carboxylic acid
CID 114603624
4-bromo-1-(1,3-dimethylpyrazol-4-yl)pyrrole-2-carboxylic acid
CID 102806949
4-bromo-1-(2-fluoro-5-methoxyphenyl)pyrrole-2-carboxylic acid
CID 114606034
4-bromo-1-(3-fluoro-4-methylphenyl)pyrrole-2-carboxylic acid
CID 114603125

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-(4-bromo-2,3-dichlorophenyl)pyrrole-2-carboxylic acid?
The IUPAC name of 4-bromo-1-(4-bromo-2,3-dichlorophenyl)pyrrole-2-carboxylic acid (CID 107792709) is 4-bromo-1-(4-bromo-2,3-dichlorophenyl)pyrrole-2-carboxylic acid.
What is the SMILES notation for 4-bromo-1-(4-bromo-2,3-dichlorophenyl)pyrrole-2-carboxylic acid?
The canonical SMILES for 4-bromo-1-(4-bromo-2,3-dichlorophenyl)pyrrole-2-carboxylic acid is O=C(O)c1cc(Br)cn1-c1ccc(Br)c(Cl)c1Cl.
What is the InChIKey of 4-bromo-1-(4-bromo-2,3-dichlorophenyl)pyrrole-2-carboxylic acid?
The InChIKey is DRYRZOSDDAAWBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5Br2Cl2NO2/c12-5-3-8(11(17)18)16(4-5)7-2-1-6(13)9(14)10(7)15/h1-4H,(H,17,18).
What are the key properties of 4-bromo-1-(4-bromo-2,3-dichlorophenyl)pyrrole-2-carboxylic acid?
4-bromo-1-(4-bromo-2,3-dichlorophenyl)pyrrole-2-carboxylic acid has a molecular weight of 413.88 g/mol, XLogP of 5.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-(4-bromo-2,3-dichlorophenyl)pyrrole-2-carboxylic acid is sourced from PubChem (CID 107792709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).