2-chloro-5-(5,6-dichloro-1H-indol-2-yl)benzoic acid

C15H8Cl3NO2 — CID 11393662

IUPAC2-chloro-5-(5,6-dichloro-1H-indol-2-yl)benzoic acid
SMILESO=C(O)c1cc(-c2cc3cc(Cl)c(Cl)cc3[nH]2)ccc1Cl
InChIInChI=1S/C15H8Cl3NO2/c16-10-2-1-7(3-9(10)15(20)21)13-5-8-4-11(17)12(18)6-14(8)19-13/h1-6,19H,(H,20,21)
InChIKeyGOTDXXMFYCGSES-UHFFFAOYSA-N
MW340.59 g/mol
LogP5.49
Rot. Bonds2

About 2-chloro-5-(5,6-dichloro-1H-indol-2-yl)benzoic acid

2-chloro-5-(5,6-dichloro-1H-indol-2-yl)benzoic acid (PubChem CID 11393662) has the molecular formula C15H8Cl3NO2 and a molecular weight of 340.59 g/mol. Its IUPAC name is 2-chloro-5-(5,6-dichloro-1H-indol-2-yl)benzoic acid.

Molecular Properties

Compound Name2-chloro-5-(5,6-dichloro-1H-indol-2-yl)benzoic acid
PubChem CID11393662
Molecular FormulaC15H8Cl3NO2
Molecular Weight340.59 g/mol
Exact Mass338.96
IUPAC Name2-chloro-5-(5,6-dichloro-1H-indol-2-yl)benzoic acid
SMILESO=C(O)c1cc(-c2cc3cc(Cl)c(Cl)cc3[nH]2)ccc1Cl
InChIInChI=1S/C15H8Cl3NO2/c16-10-2-1-7(3-9(10)15(20)21)13-5-8-4-11(17)12(18)6-14(8)19-13/h1-6,19H,(H,20,21)
InChIKeyGOTDXXMFYCGSES-UHFFFAOYSA-N
XLogP5.49
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.59
LogP ≤ 55.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 2-chloro-5-(5,6-dichloro-1H-indol-2-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 2-chloro-5-(5,6-dichloro-1H-indol-2-yl)benzoic acid?
The IUPAC name of 2-chloro-5-(5,6-dichloro-1H-indol-2-yl)benzoic acid (CID 11393662) is 2-chloro-5-(5,6-dichloro-1H-indol-2-yl)benzoic acid.
What is the SMILES notation for 2-chloro-5-(5,6-dichloro-1H-indol-2-yl)benzoic acid?
The canonical SMILES for 2-chloro-5-(5,6-dichloro-1H-indol-2-yl)benzoic acid is O=C(O)c1cc(-c2cc3cc(Cl)c(Cl)cc3[nH]2)ccc1Cl.
What is the InChIKey of 2-chloro-5-(5,6-dichloro-1H-indol-2-yl)benzoic acid?
The InChIKey is GOTDXXMFYCGSES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8Cl3NO2/c16-10-2-1-7(3-9(10)15(20)21)13-5-8-4-11(17)12(18)6-14(8)19-13/h1-6,19H,(H,20,21).
What are the key properties of 2-chloro-5-(5,6-dichloro-1H-indol-2-yl)benzoic acid?
2-chloro-5-(5,6-dichloro-1H-indol-2-yl)benzoic acid has a molecular weight of 340.59 g/mol, XLogP of 5.49, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(5,6-dichloro-1H-indol-2-yl)benzoic acid is sourced from PubChem (CID 11393662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).