2-(4,5-dichloro-1H-indol-3-yl)acetic acid

C10H7Cl2NO2 — CID 13419486

IUPAC2-(4,5-dichloro-1H-indol-3-yl)acetic acid
SMILESO=C(O)Cc1c[nH]c2ccc(Cl)c(Cl)c12
InChIInChI=1S/C10H7Cl2NO2/c11-6-1-2-7-9(10(6)12)5(4-13-7)3-8(14)15/h1-2,4,13H,3H2,(H,14,15)
InChIKeyJOHFBANJLDVFAY-UHFFFAOYSA-N
MW244.08 g/mol
LogP3.10
Rot. Bonds2

About 2-(4,5-dichloro-1H-indol-3-yl)acetic acid

2-(4,5-dichloro-1H-indol-3-yl)acetic acid (PubChem CID 13419486) has the molecular formula C10H7Cl2NO2 and a molecular weight of 244.08 g/mol. Its IUPAC name is 2-(4,5-dichloro-1H-indol-3-yl)acetic acid.

Molecular Properties

Compound Name2-(4,5-dichloro-1H-indol-3-yl)acetic acid
PubChem CID13419486
Molecular FormulaC10H7Cl2NO2
Molecular Weight244.08 g/mol
Exact Mass242.99
IUPAC Name2-(4,5-dichloro-1H-indol-3-yl)acetic acid
SMILESO=C(O)Cc1c[nH]c2ccc(Cl)c(Cl)c12
InChIInChI=1S/C10H7Cl2NO2/c11-6-1-2-7-9(10(6)12)5(4-13-7)3-8(14)15/h1-2,4,13H,3H2,(H,14,15)
InChIKeyJOHFBANJLDVFAY-UHFFFAOYSA-N
XLogP3.10
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.08
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 2-(4,5-dichloro-1H-indol-3-yl)acetic acid with MolForge

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

Launch Full Analysis

Related Compounds

Indole-3-Acetic Acid
CID 802
4-Chloroindole-3-acetic acid
CID 100413
Indole-3-acetate
CID 801
5-Fluoroindole-3-acetic acid
CID 96750
Methyl 4-chloro-1H-indole-3-acetate
CID 161268
2-(6-chloro-1H-indol-3-yl)acetic acid
CID 325810
5-Chloroindole-3-acetic acid
CID 150949
2-(5-chloro-2-methyl-1H-indol-3-yl)acetic acid
CID 2068157
2-(1H-indol-3-yl)propanoic acid
CID 10899423
2-(7-Chloro-1H-indol-3-yl)acetic acid
CID 3083739
6-chloro-L-tryptophan
CID 10062693
6-Chlorotryptophan
CID 65259

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dichloro-1H-indol-3-yl)acetic acid?
The IUPAC name of 2-(4,5-dichloro-1H-indol-3-yl)acetic acid (CID 13419486) is 2-(4,5-dichloro-1H-indol-3-yl)acetic acid.
What is the SMILES notation for 2-(4,5-dichloro-1H-indol-3-yl)acetic acid?
The canonical SMILES for 2-(4,5-dichloro-1H-indol-3-yl)acetic acid is O=C(O)Cc1c[nH]c2ccc(Cl)c(Cl)c12.
What is the InChIKey of 2-(4,5-dichloro-1H-indol-3-yl)acetic acid?
The InChIKey is JOHFBANJLDVFAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2NO2/c11-6-1-2-7-9(10(6)12)5(4-13-7)3-8(14)15/h1-2,4,13H,3H2,(H,14,15).
What are the key properties of 2-(4,5-dichloro-1H-indol-3-yl)acetic acid?
2-(4,5-dichloro-1H-indol-3-yl)acetic acid has a molecular weight of 244.08 g/mol, XLogP of 3.10, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dichloro-1H-indol-3-yl)acetic acid is sourced from PubChem (CID 13419486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).