1-[(2,5-dichlorophenyl)methyl]indole-6-carboxylic acid

C16H11Cl2NO2 — CID 65317256

IUPAC1-[(2,5-dichlorophenyl)methyl]indole-6-carboxylic acid
SMILESO=C(O)c1ccc2ccn(Cc3cc(Cl)ccc3Cl)c2c1
InChIInChI=1S/C16H11Cl2NO2/c17-13-3-4-14(18)12(7-13)9-19-6-5-10-1-2-11(16(20)21)8-15(10)19/h1-8H,9H2,(H,20,21)
InChIKeyCKWQFFOAYKXERH-UHFFFAOYSA-N
MW320.18 g/mol
LogP4.69
Rot. Bonds3

About 1-[(2,5-dichlorophenyl)methyl]indole-6-carboxylic acid

1-[(2,5-dichlorophenyl)methyl]indole-6-carboxylic acid (PubChem CID 65317256) has the molecular formula C16H11Cl2NO2 and a molecular weight of 320.18 g/mol. Its IUPAC name is 1-[(2,5-dichlorophenyl)methyl]indole-6-carboxylic acid.

Molecular Properties

Compound Name1-[(2,5-dichlorophenyl)methyl]indole-6-carboxylic acid
PubChem CID65317256
Molecular FormulaC16H11Cl2NO2
Molecular Weight320.18 g/mol
Exact Mass319.02
IUPAC Name1-[(2,5-dichlorophenyl)methyl]indole-6-carboxylic acid
SMILESO=C(O)c1ccc2ccn(Cc3cc(Cl)ccc3Cl)c2c1
InChIInChI=1S/C16H11Cl2NO2/c17-13-3-4-14(18)12(7-13)9-19-6-5-10-1-2-11(16(20)21)8-15(10)19/h1-8H,9H2,(H,20,21)
InChIKeyCKWQFFOAYKXERH-UHFFFAOYSA-N
XLogP4.69
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.18
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(2,5-dichlorophenyl)methyl]indole-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

1-[(5-chloro-2-fluorophenyl)methyl]indole-6-carboxylic acid
CID 103047013
2-[(6-chloroindol-1-yl)methyl]benzoic acid
CID 43473250
3-bromo-4-[(5-chloroindol-1-yl)methyl]benzoic acid
CID 102766222
1-(carboxymethyl)indole-6-carboxylic acid
CID 83948256
4-[(5-chloroindol-1-yl)methyl]benzoic acid
CID 63879545
1-[(4-chlorophenyl)methyl]indole-5-carboxylic acid
CID 63748052
1-(3-aminopropyl)indole-6-carboxylic acid
CID 83946639
1-(2-amino-2-oxoethyl)indole-6-carboxylic acid
CID 24720961
1-(2,2,2-trifluoroethyl)indole-6-carboxylic acid
CID 63936802
2-[(5-chloroindol-1-yl)methyl]benzoic acid
CID 63880241
3-chloro-4-[(5-fluoroindol-1-yl)methyl]benzoic acid
CID 102670073
5-[(6-chloroindol-1-yl)methyl]furan-2-carboxylic acid
CID 43163558

Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-dichlorophenyl)methyl]indole-6-carboxylic acid?
The IUPAC name of 1-[(2,5-dichlorophenyl)methyl]indole-6-carboxylic acid (CID 65317256) is 1-[(2,5-dichlorophenyl)methyl]indole-6-carboxylic acid.
What is the SMILES notation for 1-[(2,5-dichlorophenyl)methyl]indole-6-carboxylic acid?
The canonical SMILES for 1-[(2,5-dichlorophenyl)methyl]indole-6-carboxylic acid is O=C(O)c1ccc2ccn(Cc3cc(Cl)ccc3Cl)c2c1.
What is the InChIKey of 1-[(2,5-dichlorophenyl)methyl]indole-6-carboxylic acid?
The InChIKey is CKWQFFOAYKXERH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2NO2/c17-13-3-4-14(18)12(7-13)9-19-6-5-10-1-2-11(16(20)21)8-15(10)19/h1-8H,9H2,(H,20,21).
What are the key properties of 1-[(2,5-dichlorophenyl)methyl]indole-6-carboxylic acid?
1-[(2,5-dichlorophenyl)methyl]indole-6-carboxylic acid has a molecular weight of 320.18 g/mol, XLogP of 4.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-dichlorophenyl)methyl]indole-6-carboxylic acid is sourced from PubChem (CID 65317256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).