2-(3,4-dichloro-1H-indol-2-yl)acetic acid

C10H7Cl2NO2 — CID 67922081

IUPAC2-(3,4-dichloro-1H-indol-2-yl)acetic acid
SMILESO=C(O)Cc1[nH]c2cccc(Cl)c2c1Cl
InChIInChI=1S/C10H7Cl2NO2/c11-5-2-1-3-6-9(5)10(12)7(13-6)4-8(14)15/h1-3,13H,4H2,(H,14,15)
InChIKeyJBPYRDXXEUVLJO-UHFFFAOYSA-N
MW244.08 g/mol
LogP3.10
Rot. Bonds2

About 2-(3,4-dichloro-1H-indol-2-yl)acetic acid

2-(3,4-dichloro-1H-indol-2-yl)acetic acid (PubChem CID 67922081) has the molecular formula C10H7Cl2NO2 and a molecular weight of 244.08 g/mol. Its IUPAC name is 2-(3,4-dichloro-1H-indol-2-yl)acetic acid.

Molecular Properties

Compound Name2-(3,4-dichloro-1H-indol-2-yl)acetic acid
PubChem CID67922081
Molecular FormulaC10H7Cl2NO2
Molecular Weight244.08 g/mol
Exact Mass242.99
IUPAC Name2-(3,4-dichloro-1H-indol-2-yl)acetic acid
SMILESO=C(O)Cc1[nH]c2cccc(Cl)c2c1Cl
InChIInChI=1S/C10H7Cl2NO2/c11-5-2-1-3-6-9(5)10(12)7(13-6)4-8(14)15/h1-3,13H,4H2,(H,14,15)
InChIKeyJBPYRDXXEUVLJO-UHFFFAOYSA-N
XLogP3.10
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.08
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichloro-1H-indol-2-yl)acetic acid?
The IUPAC name of 2-(3,4-dichloro-1H-indol-2-yl)acetic acid (CID 67922081) is 2-(3,4-dichloro-1H-indol-2-yl)acetic acid.
What is the SMILES notation for 2-(3,4-dichloro-1H-indol-2-yl)acetic acid?
The canonical SMILES for 2-(3,4-dichloro-1H-indol-2-yl)acetic acid is O=C(O)Cc1[nH]c2cccc(Cl)c2c1Cl.
What is the InChIKey of 2-(3,4-dichloro-1H-indol-2-yl)acetic acid?
The InChIKey is JBPYRDXXEUVLJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2NO2/c11-5-2-1-3-6-9(5)10(12)7(13-6)4-8(14)15/h1-3,13H,4H2,(H,14,15).
What are the key properties of 2-(3,4-dichloro-1H-indol-2-yl)acetic acid?
2-(3,4-dichloro-1H-indol-2-yl)acetic acid has a molecular weight of 244.08 g/mol, XLogP of 3.10, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichloro-1H-indol-2-yl)acetic acid is sourced from PubChem (CID 67922081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).