4-[3-(2,6-dichlorobenzoyl)pyrrolo[2,3-c]pyridin-1-yl]benzoic acid

C21H12Cl2N2O3 — CID 155529484

IUPAC4-[3-(2,6-dichlorobenzoyl)pyrrolo[2,3-c]pyridin-1-yl]benzoic acid
SMILESO=C(O)c1ccc(-n2cc(C(=O)c3c(Cl)cccc3Cl)c3ccncc32)cc1
InChIInChI=1S/C21H12Cl2N2O3/c22-16-2-1-3-17(23)19(16)20(26)15-11-25(18-10-24-9-8-14(15)18)13-6-4-12(5-7-13)21(27)28/h1-11H,(H,27,28)
InChIKeyIUWXNUQWDPPSST-UHFFFAOYSA-N
MW411.24 g/mol
LogP5.26
Rot. Bonds4

About 4-[3-(2,6-dichlorobenzoyl)pyrrolo[2,3-c]pyridin-1-yl]benzoic acid

4-[3-(2,6-dichlorobenzoyl)pyrrolo[2,3-c]pyridin-1-yl]benzoic acid (PubChem CID 155529484) has the molecular formula C21H12Cl2N2O3 and a molecular weight of 411.24 g/mol. Its IUPAC name is 4-[3-(2,6-dichlorobenzoyl)pyrrolo[2,3-c]pyridin-1-yl]benzoic acid.

Molecular Properties

Compound Name4-[3-(2,6-dichlorobenzoyl)pyrrolo[2,3-c]pyridin-1-yl]benzoic acid
PubChem CID155529484
Molecular FormulaC21H12Cl2N2O3
Molecular Weight411.24 g/mol
Exact Mass410.02
IUPAC Name4-[3-(2,6-dichlorobenzoyl)pyrrolo[2,3-c]pyridin-1-yl]benzoic acid
SMILESO=C(O)c1ccc(-n2cc(C(=O)c3c(Cl)cccc3Cl)c3ccncc32)cc1
InChIInChI=1S/C21H12Cl2N2O3/c22-16-2-1-3-17(23)19(16)20(26)15-11-25(18-10-24-9-8-14(15)18)13-6-4-12(5-7-13)21(27)28/h1-11H,(H,27,28)
InChIKeyIUWXNUQWDPPSST-UHFFFAOYSA-N
XLogP5.26
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.24
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[3-(2,6-dichlorobenzoyl)pyrrolo[2,3-c]pyridin-1-yl]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2,6-dichlorobenzoyl)pyrrolo[2,3-c]pyridin-1-yl]benzoic acid?
The IUPAC name of 4-[3-(2,6-dichlorobenzoyl)pyrrolo[2,3-c]pyridin-1-yl]benzoic acid (CID 155529484) is 4-[3-(2,6-dichlorobenzoyl)pyrrolo[2,3-c]pyridin-1-yl]benzoic acid.
What is the SMILES notation for 4-[3-(2,6-dichlorobenzoyl)pyrrolo[2,3-c]pyridin-1-yl]benzoic acid?
The canonical SMILES for 4-[3-(2,6-dichlorobenzoyl)pyrrolo[2,3-c]pyridin-1-yl]benzoic acid is O=C(O)c1ccc(-n2cc(C(=O)c3c(Cl)cccc3Cl)c3ccncc32)cc1.
What is the InChIKey of 4-[3-(2,6-dichlorobenzoyl)pyrrolo[2,3-c]pyridin-1-yl]benzoic acid?
The InChIKey is IUWXNUQWDPPSST-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12Cl2N2O3/c22-16-2-1-3-17(23)19(16)20(26)15-11-25(18-10-24-9-8-14(15)18)13-6-4-12(5-7-13)21(27)28/h1-11H,(H,27,28).
What are the key properties of 4-[3-(2,6-dichlorobenzoyl)pyrrolo[2,3-c]pyridin-1-yl]benzoic acid?
4-[3-(2,6-dichlorobenzoyl)pyrrolo[2,3-c]pyridin-1-yl]benzoic acid has a molecular weight of 411.24 g/mol, XLogP of 5.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2,6-dichlorobenzoyl)pyrrolo[2,3-c]pyridin-1-yl]benzoic acid is sourced from PubChem (CID 155529484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).