2-(7-chloro-4-methyl-1H-indol-5-yl)acetic acid

C11H10ClNO2 — CID 174763150

IUPAC2-(7-chloro-4-methyl-1H-indol-5-yl)acetic acid
SMILESCc1c(CC(=O)O)cc(Cl)c2[nH]ccc12
InChIInChI=1S/C11H10ClNO2/c1-6-7(5-10(14)15)4-9(12)11-8(6)2-3-13-11/h2-4,13H,5H2,1H3,(H,14,15)
InChIKeyMGDWZNOYVVBBHO-UHFFFAOYSA-N
MW223.66 g/mol
LogP2.76
Rot. Bonds2

About 2-(7-chloro-4-methyl-1H-indol-5-yl)acetic acid

2-(7-chloro-4-methyl-1H-indol-5-yl)acetic acid (PubChem CID 174763150) has the molecular formula C11H10ClNO2 and a molecular weight of 223.66 g/mol. Its IUPAC name is 2-(7-chloro-4-methyl-1H-indol-5-yl)acetic acid.

Molecular Properties

Compound Name2-(7-chloro-4-methyl-1H-indol-5-yl)acetic acid
PubChem CID174763150
Molecular FormulaC11H10ClNO2
Molecular Weight223.66 g/mol
Exact Mass223.04
IUPAC Name2-(7-chloro-4-methyl-1H-indol-5-yl)acetic acid
SMILESCc1c(CC(=O)O)cc(Cl)c2[nH]ccc12
InChIInChI=1S/C11H10ClNO2/c1-6-7(5-10(14)15)4-9(12)11-8(6)2-3-13-11/h2-4,13H,5H2,1H3,(H,14,15)
InChIKeyMGDWZNOYVVBBHO-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

2-(4-chloro-2,3-dimethylphenyl)acetic acid
CID 66771246
methyl 5-chloro-7-(hydroxymethyl)-1H-indole-4-carboxylate
CID 138958458
(7-chloro-1H-indol-4-yl)methanol
CID 53399502
acetic acid;5,7-dichloro-1H-indole
CID 162328874
2-(6-propan-2-yl-1H-indol-4-yl)acetic acid
CID 174727821
4-chloro-7-hydroxy-1H-indole-5-carboxylic acid
CID 90239236
2-(3-chloro-2,6-dimethylphenyl)acetic acid
CID 18401133
4-chloro-7-ethyl-1H-indole-5-carboxylic acid;methyl 4-chloro-7-methyl-1H-indole-5-carboxylate
CID 157445689
2-(4-chloro-2-methyl-3-nitrophenyl)acetic acid
CID 118833851
2-(3-chloro-4-oxo-1H-pyridin-2-yl)acetic acid
CID 130960878
2-(5-methylsulfonyl-1H-indol-4-yl)acetic acid
CID 76846724
4-chloro-7-methoxy-1H-indole-5-carboxylic acid
CID 90219714

Frequently Asked Questions

What is the IUPAC name of 2-(7-chloro-4-methyl-1H-indol-5-yl)acetic acid?
The IUPAC name of 2-(7-chloro-4-methyl-1H-indol-5-yl)acetic acid (CID 174763150) is 2-(7-chloro-4-methyl-1H-indol-5-yl)acetic acid.
What is the SMILES notation for 2-(7-chloro-4-methyl-1H-indol-5-yl)acetic acid?
The canonical SMILES for 2-(7-chloro-4-methyl-1H-indol-5-yl)acetic acid is Cc1c(CC(=O)O)cc(Cl)c2[nH]ccc12.
What is the InChIKey of 2-(7-chloro-4-methyl-1H-indol-5-yl)acetic acid?
The InChIKey is MGDWZNOYVVBBHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNO2/c1-6-7(5-10(14)15)4-9(12)11-8(6)2-3-13-11/h2-4,13H,5H2,1H3,(H,14,15).
What are the key properties of 2-(7-chloro-4-methyl-1H-indol-5-yl)acetic acid?
2-(7-chloro-4-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-(7-chloro-4-methyl-1H-indol-5-yl)acetic acid is sourced from PubChem (CID 174763150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).