2-(5-chloro-2-methyl-1H-indol-3-yl)acetic acid

C11H10ClNO2 — CID 2068157

IUPAC2-(5-chloro-2-methyl-1H-indol-3-yl)acetic acid
SMILESCc1[nH]c2ccc(Cl)cc2c1CC(=O)O
InChIInChI=1S/C11H10ClNO2/c1-6-8(5-11(14)15)9-4-7(12)2-3-10(9)13-6/h2-4,13H,5H2,1H3,(H,14,15)
InChIKeyOAIODEZFMSXHFQ-UHFFFAOYSA-N
MW223.66 g/mol
LogP2.76
Rot. Bonds2

About 2-(5-chloro-2-methyl-1H-indol-3-yl)acetic acid

2-(5-chloro-2-methyl-1H-indol-3-yl)acetic acid (PubChem CID 2068157) has the molecular formula C11H10ClNO2 and a molecular weight of 223.66 g/mol. Its IUPAC name is 2-(5-chloro-2-methyl-1H-indol-3-yl)acetic acid.

Molecular Properties

Compound Name2-(5-chloro-2-methyl-1H-indol-3-yl)acetic acid
PubChem CID2068157
Molecular FormulaC11H10ClNO2
Molecular Weight223.66 g/mol
Exact Mass223.04
IUPAC Name2-(5-chloro-2-methyl-1H-indol-3-yl)acetic acid
SMILESCc1[nH]c2ccc(Cl)cc2c1CC(=O)O
InChIInChI=1S/C11H10ClNO2/c1-6-8(5-11(14)15)9-4-7(12)2-3-10(9)13-6/h2-4,13H,5H2,1H3,(H,14,15)
InChIKeyOAIODEZFMSXHFQ-UHFFFAOYSA-N
XLogP2.76
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.66
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methyl-1H-indol-3-yl)acetic acid?
The IUPAC name of 2-(5-chloro-2-methyl-1H-indol-3-yl)acetic acid (CID 2068157) is 2-(5-chloro-2-methyl-1H-indol-3-yl)acetic acid.
What is the SMILES notation for 2-(5-chloro-2-methyl-1H-indol-3-yl)acetic acid?
The canonical SMILES for 2-(5-chloro-2-methyl-1H-indol-3-yl)acetic acid is Cc1[nH]c2ccc(Cl)cc2c1CC(=O)O.
What is the InChIKey of 2-(5-chloro-2-methyl-1H-indol-3-yl)acetic acid?
The InChIKey is OAIODEZFMSXHFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNO2/c1-6-8(5-11(14)15)9-4-7(12)2-3-10(9)13-6/h2-4,13H,5H2,1H3,(H,14,15).
What are the key properties of 2-(5-chloro-2-methyl-1H-indol-3-yl)acetic acid?
2-(5-chloro-2-methyl-1H-indol-3-yl)acetic acid has a molecular weight of 223.66 g/mol, XLogP of 2.76, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methyl-1H-indol-3-yl)acetic acid is sourced from PubChem (CID 2068157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).