2-(2-iodo-1H-indol-3-yl)acetic acid

C10H8INO2 — CID 22642492

IUPAC2-(2-iodo-1H-indol-3-yl)acetic acid
SMILESO=C(O)Cc1c(I)[nH]c2ccccc12
InChIInChI=1S/C10H8INO2/c11-10-7(5-9(13)14)6-3-1-2-4-8(6)12-10/h1-4,12H,5H2,(H,13,14)
InChIKeyMNPJLCDSLLPKIC-UHFFFAOYSA-N
MW301.08 g/mol
LogP2.40
Rot. Bonds2

About 2-(2-iodo-1H-indol-3-yl)acetic acid

2-(2-iodo-1H-indol-3-yl)acetic acid (PubChem CID 22642492) has the molecular formula C10H8INO2 and a molecular weight of 301.08 g/mol. Its IUPAC name is 2-(2-iodo-1H-indol-3-yl)acetic acid.

Molecular Properties

Compound Name2-(2-iodo-1H-indol-3-yl)acetic acid
PubChem CID22642492
Molecular FormulaC10H8INO2
Molecular Weight301.08 g/mol
Exact Mass300.96
IUPAC Name2-(2-iodo-1H-indol-3-yl)acetic acid
SMILESO=C(O)Cc1c(I)[nH]c2ccccc12
InChIInChI=1S/C10H8INO2/c11-10-7(5-9(13)14)6-3-1-2-4-8(6)12-10/h1-4,12H,5H2,(H,13,14)
InChIKeyMNPJLCDSLLPKIC-UHFFFAOYSA-N
XLogP2.40
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.08
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-(2-fluoro-1H-indol-3-yl)acetic acid
CID 22642493
2-(2-propan-2-yl-1H-indol-3-yl)acetic acid
CID 70573715
2-[2-(2-methylpropanoyl)-1H-indol-3-yl]acetic acid
CID 54857086
2-[2-(3-bromophenyl)-1H-indol-3-yl]acetic acid
CID 3506906
2-[2-(4-fluorophenyl)-1H-indol-3-yl]acetic acid;piperidine
CID 161400298
1-(2-phenyl-1H-indol-3-yl)propan-2-one
CID 83780172
2-[2-[2-(carboxymethoxy)phenyl]-1H-indol-3-yl]acetic acid
CID 70540384
9H-carbazole;propanoic acid
CID 68841226
9H-carbazole;carbonic acid
CID 67577328
2-[2-(4-methoxyphenyl)-1H-indol-3-yl]acetic acid;piperidine
CID 159500765
9H-carbazole;2-(4-fluorophenyl)acetic acid
CID 175926186
3-(2-hydroxy-1H-indol-3-yl)-2-oxopropanoic acid
CID 90973534

Frequently Asked Questions

What is the IUPAC name of 2-(2-iodo-1H-indol-3-yl)acetic acid?
The IUPAC name of 2-(2-iodo-1H-indol-3-yl)acetic acid (CID 22642492) is 2-(2-iodo-1H-indol-3-yl)acetic acid.
What is the SMILES notation for 2-(2-iodo-1H-indol-3-yl)acetic acid?
The canonical SMILES for 2-(2-iodo-1H-indol-3-yl)acetic acid is O=C(O)Cc1c(I)[nH]c2ccccc12.
What is the InChIKey of 2-(2-iodo-1H-indol-3-yl)acetic acid?
The InChIKey is MNPJLCDSLLPKIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8INO2/c11-10-7(5-9(13)14)6-3-1-2-4-8(6)12-10/h1-4,12H,5H2,(H,13,14).
What are the key properties of 2-(2-iodo-1H-indol-3-yl)acetic acid?
2-(2-iodo-1H-indol-3-yl)acetic acid has a molecular weight of 301.08 g/mol, XLogP of 2.40, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-iodo-1H-indol-3-yl)acetic acid is sourced from PubChem (CID 22642492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).