4-(2-bromo-5-chlorophenyl)-1H-pyrrole-3-carboxylic acid

C11H7BrClNO2 — CID 66161255

IUPAC4-(2-bromo-5-chlorophenyl)-1H-pyrrole-3-carboxylic acid
SMILESO=C(O)c1c[nH]cc1-c1cc(Cl)ccc1Br
InChIInChI=1S/C11H7BrClNO2/c12-10-2-1-6(13)3-7(10)8-4-14-5-9(8)11(15)16/h1-5,14H,(H,15,16)
InChIKeyJPXCYUXKXYTYSD-UHFFFAOYSA-N
MW300.54 g/mol
LogP3.80
Rot. Bonds2

About 4-(2-bromo-5-chlorophenyl)-1H-pyrrole-3-carboxylic acid

4-(2-bromo-5-chlorophenyl)-1H-pyrrole-3-carboxylic acid (PubChem CID 66161255) has the molecular formula C11H7BrClNO2 and a molecular weight of 300.54 g/mol. Its IUPAC name is 4-(2-bromo-5-chlorophenyl)-1H-pyrrole-3-carboxylic acid.

Molecular Properties

Compound Name4-(2-bromo-5-chlorophenyl)-1H-pyrrole-3-carboxylic acid
PubChem CID66161255
Molecular FormulaC11H7BrClNO2
Molecular Weight300.54 g/mol
Exact Mass298.93
IUPAC Name4-(2-bromo-5-chlorophenyl)-1H-pyrrole-3-carboxylic acid
SMILESO=C(O)c1c[nH]cc1-c1cc(Cl)ccc1Br
InChIInChI=1S/C11H7BrClNO2/c12-10-2-1-6(13)3-7(10)8-4-14-5-9(8)11(15)16/h1-5,14H,(H,15,16)
InChIKeyJPXCYUXKXYTYSD-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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Related Compounds

3-(2-bromo-5-chlorophenyl)-1H-pyrrole-2-carboxylic acid
CID 79324522
4-(3,5-dichlorophenyl)-1H-pyrrole-3-carboxylic acid
CID 60789782
2-(3-bromo-2,6-difluorophenyl)-4-chlorobenzoic acid
CID 114024727
4-(4-bromothiophen-3-yl)-1H-pyrrole-3-carboxylic acid
CID 130524770
2-(2-bromo-6-chlorophenyl)-4-chlorobenzoic acid
CID 114269074
2-bromoterephthalic acid;4-chlorophthalic acid
CID 70572370
5-chloro-2-(2,5-dichlorophenyl)benzoic acid
CID 39233778
3-bromo-6-chloronaphthalene-2-carboxylic acid
CID 175483572
2-(2-bromo-5-chlorophenyl)-2-oxoacetamide
CID 139220453
4-chloro-2-phenylbenzoic acid
CID 11424784
2-(2-bromo-5-chloroanilino)benzoic acid
CID 81270365
5-(2-bromo-4-chlorophenyl)-1,2-oxazole-3-carboxylic acid
CID 117487454

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-5-chlorophenyl)-1H-pyrrole-3-carboxylic acid?
The IUPAC name of 4-(2-bromo-5-chlorophenyl)-1H-pyrrole-3-carboxylic acid (CID 66161255) is 4-(2-bromo-5-chlorophenyl)-1H-pyrrole-3-carboxylic acid.
What is the SMILES notation for 4-(2-bromo-5-chlorophenyl)-1H-pyrrole-3-carboxylic acid?
The canonical SMILES for 4-(2-bromo-5-chlorophenyl)-1H-pyrrole-3-carboxylic acid is O=C(O)c1c[nH]cc1-c1cc(Cl)ccc1Br.
What is the InChIKey of 4-(2-bromo-5-chlorophenyl)-1H-pyrrole-3-carboxylic acid?
The InChIKey is JPXCYUXKXYTYSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrClNO2/c12-10-2-1-6(13)3-7(10)8-4-14-5-9(8)11(15)16/h1-5,14H,(H,15,16).
What are the key properties of 4-(2-bromo-5-chlorophenyl)-1H-pyrrole-3-carboxylic acid?
4-(2-bromo-5-chlorophenyl)-1H-pyrrole-3-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 4-(2-bromo-5-chlorophenyl)-1H-pyrrole-3-carboxylic acid is sourced from PubChem (CID 66161255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).