2-(7-chloro-1,2-dimethylindol-3-yl)acetic acid

C12H12ClNO2 — CID 82497008

IUPAC2-(7-chloro-1,2-dimethylindol-3-yl)acetic acid
SMILESCc1c(CC(=O)O)c2cccc(Cl)c2n1C
InChIInChI=1S/C12H12ClNO2/c1-7-9(6-11(15)16)8-4-3-5-10(13)12(8)14(7)2/h3-5H,6H2,1-2H3,(H,15,16)
InChIKeyLDUICEPFEREPSC-UHFFFAOYSA-N
MW237.69 g/mol
LogP2.77
Rot. Bonds2

About 2-(7-chloro-1,2-dimethylindol-3-yl)acetic acid

2-(7-chloro-1,2-dimethylindol-3-yl)acetic acid (PubChem CID 82497008) has the molecular formula C12H12ClNO2 and a molecular weight of 237.69 g/mol. Its IUPAC name is 2-(7-chloro-1,2-dimethylindol-3-yl)acetic acid.

Molecular Properties

Compound Name2-(7-chloro-1,2-dimethylindol-3-yl)acetic acid
PubChem CID82497008
Molecular FormulaC12H12ClNO2
Molecular Weight237.69 g/mol
Exact Mass237.06
IUPAC Name2-(7-chloro-1,2-dimethylindol-3-yl)acetic acid
SMILESCc1c(CC(=O)O)c2cccc(Cl)c2n1C
InChIInChI=1S/C12H12ClNO2/c1-7-9(6-11(15)16)8-4-3-5-10(13)12(8)14(7)2/h3-5H,6H2,1-2H3,(H,15,16)
InChIKeyLDUICEPFEREPSC-UHFFFAOYSA-N
XLogP2.77
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 2-(7-chloro-1,2-dimethylindol-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

Frequently Asked Questions

What is the IUPAC name of 2-(7-chloro-1,2-dimethylindol-3-yl)acetic acid?
The IUPAC name of 2-(7-chloro-1,2-dimethylindol-3-yl)acetic acid (CID 82497008) is 2-(7-chloro-1,2-dimethylindol-3-yl)acetic acid.
What is the SMILES notation for 2-(7-chloro-1,2-dimethylindol-3-yl)acetic acid?
The canonical SMILES for 2-(7-chloro-1,2-dimethylindol-3-yl)acetic acid is Cc1c(CC(=O)O)c2cccc(Cl)c2n1C.
What is the InChIKey of 2-(7-chloro-1,2-dimethylindol-3-yl)acetic acid?
The InChIKey is LDUICEPFEREPSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO2/c1-7-9(6-11(15)16)8-4-3-5-10(13)12(8)14(7)2/h3-5H,6H2,1-2H3,(H,15,16).
What are the key properties of 2-(7-chloro-1,2-dimethylindol-3-yl)acetic acid?
2-(7-chloro-1,2-dimethylindol-3-yl)acetic acid has a molecular weight of 237.69 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chloro-1,2-dimethylindol-3-yl)acetic acid is sourced from PubChem (CID 82497008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).