4,5-dichloro-6-methoxy-1-methylindole-2-carboxylic acid

C11H9Cl2NO3 — CID 130408616

IUPAC4,5-dichloro-6-methoxy-1-methylindole-2-carboxylic acid
SMILESCOc1cc2c(cc(C(=O)O)n2C)c(Cl)c1Cl
InChIInChI=1S/C11H9Cl2NO3/c1-14-6-4-8(17-2)10(13)9(12)5(6)3-7(14)11(15)16/h3-4H,1-2H3,(H,15,16)
InChIKeyFGSYITZVUGTUGA-UHFFFAOYSA-N
MW274.10 g/mol
LogP3.19
Rot. Bonds2

About 4,5-dichloro-6-methoxy-1-methylindole-2-carboxylic acid

4,5-dichloro-6-methoxy-1-methylindole-2-carboxylic acid (PubChem CID 130408616) has the molecular formula C11H9Cl2NO3 and a molecular weight of 274.10 g/mol. Its IUPAC name is 4,5-dichloro-6-methoxy-1-methylindole-2-carboxylic acid.

Molecular Properties

Compound Name4,5-dichloro-6-methoxy-1-methylindole-2-carboxylic acid
PubChem CID130408616
Molecular FormulaC11H9Cl2NO3
Molecular Weight274.10 g/mol
Exact Mass273.00
IUPAC Name4,5-dichloro-6-methoxy-1-methylindole-2-carboxylic acid
SMILESCOc1cc2c(cc(C(=O)O)n2C)c(Cl)c1Cl
InChIInChI=1S/C11H9Cl2NO3/c1-14-6-4-8(17-2)10(13)9(12)5(6)3-7(14)11(15)16/h3-4H,1-2H3,(H,15,16)
InChIKeyFGSYITZVUGTUGA-UHFFFAOYSA-N
XLogP3.19
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.10
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-5-fluoro-7-methoxy-1-methylindole-2-carboxylic acid
CID 170994441
methyl 4-chloro-5-methoxy-1-methylindole-2-carboxylate
CID 130408728
N-[(1S)-1-(4-butan-2-ylphenyl)-2-hydroxyethyl]-4,5-dichloro-6-methoxy-1-methylindole-2-carboxamide
CID 130421832
7-methoxy-1,4-dimethylindole-2-carboxylic acid
CID 83486446
2-cyclobutyl-2-[4-[3-[(4,5-dichloro-6-methoxy-1-methylindole-2-carbonyl)amino]oxetan-3-yl]phenyl]acetic acid
CID 130418278
methyl 4,5-dichloro-1-methyl-6-(2-oxohexoxy)indole-2-carboxylate
CID 161280688
2-[4-[3-[(4,5-dichloro-6-methoxy-1-methylindole-2-carbonyl)amino]oxetan-3-yl]phenyl]-4-methylpentanoic acid
CID 130417854
7-methoxy-1-methyl-4-oxoquinoline-2-carboxylic acid
CID 82243051
4,5-dichloro-1,6-dimethylindole-2-carboxamide
CID 142427655
4-chloro-6-[4-(hydroxymethyl)phenoxy]-1-methylindole-2-carboxylic acid
CID 140972332
6,7-dimethoxy-3-methylimidazo[1,2-a]benzimidazole-2-carboxylic acid
CID 84642106
5-methoxy-1-methylpyrrolo[2,3-c]pyridine-2-carboxylic acid
CID 105458405

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-6-methoxy-1-methylindole-2-carboxylic acid?
The IUPAC name of 4,5-dichloro-6-methoxy-1-methylindole-2-carboxylic acid (CID 130408616) is 4,5-dichloro-6-methoxy-1-methylindole-2-carboxylic acid.
What is the SMILES notation for 4,5-dichloro-6-methoxy-1-methylindole-2-carboxylic acid?
The canonical SMILES for 4,5-dichloro-6-methoxy-1-methylindole-2-carboxylic acid is COc1cc2c(cc(C(=O)O)n2C)c(Cl)c1Cl.
What is the InChIKey of 4,5-dichloro-6-methoxy-1-methylindole-2-carboxylic acid?
The InChIKey is FGSYITZVUGTUGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2NO3/c1-14-6-4-8(17-2)10(13)9(12)5(6)3-7(14)11(15)16/h3-4H,1-2H3,(H,15,16).
What are the key properties of 4,5-dichloro-6-methoxy-1-methylindole-2-carboxylic acid?
4,5-dichloro-6-methoxy-1-methylindole-2-carboxylic acid has a molecular weight of 274.10 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-6-methoxy-1-methylindole-2-carboxylic acid is sourced from PubChem (CID 130408616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).