3-(2,4-dichlorophenyl)-1-methylindole-6-carboxylic acid

C16H11Cl2NO2 — CID 170838813

IUPAC3-(2,4-dichlorophenyl)-1-methylindole-6-carboxylic acid
SMILESCn1cc(-c2ccc(Cl)cc2Cl)c2ccc(C(=O)O)cc21
InChIInChI=1S/C16H11Cl2NO2/c1-19-8-13(11-5-3-10(17)7-14(11)18)12-4-2-9(16(20)21)6-15(12)19/h2-8H,1H3,(H,20,21)
InChIKeyQFXFOFGJXPZWLA-UHFFFAOYSA-N
MW320.18 g/mol
LogP4.85
Rot. Bonds2

About 3-(2,4-dichlorophenyl)-1-methylindole-6-carboxylic acid

3-(2,4-dichlorophenyl)-1-methylindole-6-carboxylic acid (PubChem CID 170838813) has the molecular formula C16H11Cl2NO2 and a molecular weight of 320.18 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-1-methylindole-6-carboxylic acid.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-1-methylindole-6-carboxylic acid
PubChem CID170838813
Molecular FormulaC16H11Cl2NO2
Molecular Weight320.18 g/mol
Exact Mass319.02
IUPAC Name3-(2,4-dichlorophenyl)-1-methylindole-6-carboxylic acid
SMILESCn1cc(-c2ccc(Cl)cc2Cl)c2ccc(C(=O)O)cc21
InChIInChI=1S/C16H11Cl2NO2/c1-19-8-13(11-5-3-10(17)7-14(11)18)12-4-2-9(16(20)21)6-15(12)19/h2-8H,1H3,(H,20,21)
InChIKeyQFXFOFGJXPZWLA-UHFFFAOYSA-N
XLogP4.85
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.18
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(2,4-dichlorophenyl)-1-methylindole-6-carboxylic 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

3-(3-chlorophenyl)-1-methylindole-6-carboxylic acid
CID 170838816
3-(2-fluorophenyl)-1-methylindole-6-carboxylic acid
CID 170838792
1-methyl-3-[2-(trifluoromethyl)phenyl]indole-6-carboxylic acid
CID 170838791
4-(2,4-dichlorophenyl)-3-fluorobenzoic acid
CID 53211306
5-(6-chloro-1-methylindol-3-yl)-1H-pyrrole-2-carboxylic acid
CID 115110303
3-[(4-chlorophenoxy)methyl]-1-methylindole-6-carboxylic acid
CID 117178702
3-acetyl-1-methylindole-6-carboxylic acid
CID 59337680
5-(6-chloro-1-methylindol-3-yl)-1-methylpyrazole-4-carboxylic acid
CID 115108940
4-(4-carboxy-2-chlorophenyl)-3-chlorobenzoic acid;dihydrochloride
CID 67933510
1-methyl-3-[3-(trifluoromethyl)phenyl]indole-6-carboxylic acid
CID 59625707
3-(2-chlorophenyl)-1-(5-methylpyrimidin-2-yl)indole-6-carboxylic acid
CID 163857541
1-(1-methyl-3-phenylindol-6-yl)ethanone
CID 59626112

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-1-methylindole-6-carboxylic acid?
The IUPAC name of 3-(2,4-dichlorophenyl)-1-methylindole-6-carboxylic acid (CID 170838813) is 3-(2,4-dichlorophenyl)-1-methylindole-6-carboxylic acid.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-1-methylindole-6-carboxylic acid?
The canonical SMILES for 3-(2,4-dichlorophenyl)-1-methylindole-6-carboxylic acid is Cn1cc(-c2ccc(Cl)cc2Cl)c2ccc(C(=O)O)cc21.
What is the InChIKey of 3-(2,4-dichlorophenyl)-1-methylindole-6-carboxylic acid?
The InChIKey is QFXFOFGJXPZWLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2NO2/c1-19-8-13(11-5-3-10(17)7-14(11)18)12-4-2-9(16(20)21)6-15(12)19/h2-8H,1H3,(H,20,21).
What are the key properties of 3-(2,4-dichlorophenyl)-1-methylindole-6-carboxylic acid?
3-(2,4-dichlorophenyl)-1-methylindole-6-carboxylic acid has a molecular weight of 320.18 g/mol, XLogP of 4.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)-1-methylindole-6-carboxylic acid is sourced from PubChem (CID 170838813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).