2-(4-chloro-3-methyl-1H-indol-5-yl)acetic acid

C11H10ClNO2 — CID 174764483

IUPAC2-(4-chloro-3-methyl-1H-indol-5-yl)acetic acid
SMILESCc1c[nH]c2ccc(CC(=O)O)c(Cl)c12
InChIInChI=1S/C11H10ClNO2/c1-6-5-13-8-3-2-7(4-9(14)15)11(12)10(6)8/h2-3,5,13H,4H2,1H3,(H,14,15)
InChIKeyUFYGNDNCJMQRDS-UHFFFAOYSA-N
MW223.66 g/mol
LogP2.76
Rot. Bonds2

About 2-(4-chloro-3-methyl-1H-indol-5-yl)acetic acid

2-(4-chloro-3-methyl-1H-indol-5-yl)acetic acid (PubChem CID 174764483) has the molecular formula C11H10ClNO2 and a molecular weight of 223.66 g/mol. Its IUPAC name is 2-(4-chloro-3-methyl-1H-indol-5-yl)acetic acid.

Molecular Properties

Compound Name2-(4-chloro-3-methyl-1H-indol-5-yl)acetic acid
PubChem CID174764483
Molecular FormulaC11H10ClNO2
Molecular Weight223.66 g/mol
Exact Mass223.04
IUPAC Name2-(4-chloro-3-methyl-1H-indol-5-yl)acetic acid
SMILESCc1c[nH]c2ccc(CC(=O)O)c(Cl)c12
InChIInChI=1S/C11H10ClNO2/c1-6-5-13-8-3-2-7(4-9(14)15)11(12)10(6)8/h2-3,5,13H,4H2,1H3,(H,14,15)
InChIKeyUFYGNDNCJMQRDS-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

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Related Compounds

(4-chloro-3-methyl-1H-indol-5-yl) hydrogen carbonate
CID 122668432
2-(4-chloro-5-fluoro-1H-indol-3-yl)acetic acid
CID 118833328
5-bromo-4-chloro-3-methyl-1H-indole
CID 58220952
2-(2,3-dichloro-4-methylphenyl)acetic acid
CID 119014032
3-(4-methoxy-3-methyl-1H-indol-5-yl)propanoic acid
CID 96598099
4-(4-methoxy-3-methyl-1H-indol-5-yl)butanoic acid
CID 117370338
1-(4,5-dichloro-1H-indol-3-yl)propan-2-one
CID 82622105
2-(4-hydroxy-3-methyl-1H-indol-5-yl)-2-oxoacetic acid
CID 117311775
N-[(3-chloro-4-fluoro-1H-indol-5-yl)methyl]acetamide
CID 145222330
2-(4-chloro-2,3-dimethylphenyl)acetic acid
CID 66771246
ethyl 3-methyl-1H-indole-4-carboxylate
CID 90251191
2-(4,7-dimethyl-1H-indol-3-yl)acetic acid
CID 22751

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methyl-1H-indol-5-yl)acetic acid?
The IUPAC name of 2-(4-chloro-3-methyl-1H-indol-5-yl)acetic acid (CID 174764483) is 2-(4-chloro-3-methyl-1H-indol-5-yl)acetic acid.
What is the SMILES notation for 2-(4-chloro-3-methyl-1H-indol-5-yl)acetic acid?
The canonical SMILES for 2-(4-chloro-3-methyl-1H-indol-5-yl)acetic acid is Cc1c[nH]c2ccc(CC(=O)O)c(Cl)c12.
What is the InChIKey of 2-(4-chloro-3-methyl-1H-indol-5-yl)acetic acid?
The InChIKey is UFYGNDNCJMQRDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNO2/c1-6-5-13-8-3-2-7(4-9(14)15)11(12)10(6)8/h2-3,5,13H,4H2,1H3,(H,14,15).
What are the key properties of 2-(4-chloro-3-methyl-1H-indol-5-yl)acetic acid?
2-(4-chloro-3-methyl-1H-indol-5-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-(4-chloro-3-methyl-1H-indol-5-yl)acetic acid is sourced from PubChem (CID 174764483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).