2-(6-chloro-2-methyl-1H-indol-3-yl)-2-methylpropanoic acid

C13H14ClNO2 — CID 82278454

IUPAC2-(6-chloro-2-methyl-1H-indol-3-yl)-2-methylpropanoic acid
SMILESCc1[nH]c2cc(Cl)ccc2c1C(C)(C)C(=O)O
InChIInChI=1S/C13H14ClNO2/c1-7-11(13(2,3)12(16)17)9-5-4-8(14)6-10(9)15-7/h4-6,15H,1-3H3,(H,16,17)
InChIKeyDEJNKJAGIBXDEO-UHFFFAOYSA-N
MW251.71 g/mol
LogP3.49
Rot. Bonds2

About 2-(6-chloro-2-methyl-1H-indol-3-yl)-2-methylpropanoic acid

2-(6-chloro-2-methyl-1H-indol-3-yl)-2-methylpropanoic acid (PubChem CID 82278454) has the molecular formula C13H14ClNO2 and a molecular weight of 251.71 g/mol. Its IUPAC name is 2-(6-chloro-2-methyl-1H-indol-3-yl)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(6-chloro-2-methyl-1H-indol-3-yl)-2-methylpropanoic acid
PubChem CID82278454
Molecular FormulaC13H14ClNO2
Molecular Weight251.71 g/mol
Exact Mass251.07
IUPAC Name2-(6-chloro-2-methyl-1H-indol-3-yl)-2-methylpropanoic acid
SMILESCc1[nH]c2cc(Cl)ccc2c1C(C)(C)C(=O)O
InChIInChI=1S/C13H14ClNO2/c1-7-11(13(2,3)12(16)17)9-5-4-8(14)6-10(9)15-7/h4-6,15H,1-3H3,(H,16,17)
InChIKeyDEJNKJAGIBXDEO-UHFFFAOYSA-N
XLogP3.49
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.71
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 2-(6-chloro-2-methyl-1H-indol-3-yl)-2-methylpropanoic 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

2-(5-bromo-2-methyl-1H-indol-3-yl)-2-methylpropanoic acid
CID 82502343
2-(5-ethoxy-2-methyl-1H-indol-3-yl)-2-methylpropanoic acid
CID 82278453
7-chloro-3-hydroxy-2-methyl-1H-quinolin-4-one
CID 70376894
7-chloro-3-methyl-4-oxo-1H-quinoline-2-carboxylic acid
CID 82243483
(6-chloro-2-methyl-1H-indol-3-yl)-piperidin-4-ylmethanone
CID 98034370
2-[2-[(6-chloro-2-methyl-1H-indol-3-yl)sulfanyl]phenyl]acetic acid
CID 56839997
6-chloro-N-cyclopropyl-2-methyl-1H-indole-3-carboxamide
CID 110847987
2-bromo-6-chloro-3-methyl-1H-indole
CID 84631725
(7-chloro-2-methyl-4-oxo-1H-quinolin-3-yl)methyl acetate
CID 609460
2-(5-chloro-2-methyl-1H-indol-3-yl)-2-methylpropan-1-amine
CID 67808042
2-(6-chloro-2-methyl-1H-indol-3-yl)ethanamine
CID 28806617
2-(6-chloro-3-methyl-1H-indol-2-yl)propan-2-amine
CID 84624306

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-2-methyl-1H-indol-3-yl)-2-methylpropanoic acid?
The IUPAC name of 2-(6-chloro-2-methyl-1H-indol-3-yl)-2-methylpropanoic acid (CID 82278454) is 2-(6-chloro-2-methyl-1H-indol-3-yl)-2-methylpropanoic acid.
What is the SMILES notation for 2-(6-chloro-2-methyl-1H-indol-3-yl)-2-methylpropanoic acid?
The canonical SMILES for 2-(6-chloro-2-methyl-1H-indol-3-yl)-2-methylpropanoic acid is Cc1[nH]c2cc(Cl)ccc2c1C(C)(C)C(=O)O.
What is the InChIKey of 2-(6-chloro-2-methyl-1H-indol-3-yl)-2-methylpropanoic acid?
The InChIKey is DEJNKJAGIBXDEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO2/c1-7-11(13(2,3)12(16)17)9-5-4-8(14)6-10(9)15-7/h4-6,15H,1-3H3,(H,16,17).
What are the key properties of 2-(6-chloro-2-methyl-1H-indol-3-yl)-2-methylpropanoic acid?
2-(6-chloro-2-methyl-1H-indol-3-yl)-2-methylpropanoic acid has a molecular weight of 251.71 g/mol, XLogP of 3.49, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-2-methyl-1H-indol-3-yl)-2-methylpropanoic acid is sourced from PubChem (CID 82278454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).