2-(6,7-dichloro-1-methylindol-3-yl)acetic acid

C11H9Cl2NO2 — CID 83944788

IUPAC2-(6,7-dichloro-1-methylindol-3-yl)acetic acid
SMILESCn1cc(CC(=O)O)c2ccc(Cl)c(Cl)c21
InChIInChI=1S/C11H9Cl2NO2/c1-14-5-6(4-9(15)16)7-2-3-8(12)10(13)11(7)14/h2-3,5H,4H2,1H3,(H,15,16)
InChIKeyXCEVDKODXBHUSW-UHFFFAOYSA-N
MW258.10 g/mol
LogP3.11
Rot. Bonds2

About 2-(6,7-dichloro-1-methylindol-3-yl)acetic acid

2-(6,7-dichloro-1-methylindol-3-yl)acetic acid (PubChem CID 83944788) has the molecular formula C11H9Cl2NO2 and a molecular weight of 258.10 g/mol. Its IUPAC name is 2-(6,7-dichloro-1-methylindol-3-yl)acetic acid.

Molecular Properties

Compound Name2-(6,7-dichloro-1-methylindol-3-yl)acetic acid
PubChem CID83944788
Molecular FormulaC11H9Cl2NO2
Molecular Weight258.10 g/mol
Exact Mass257.00
IUPAC Name2-(6,7-dichloro-1-methylindol-3-yl)acetic acid
SMILESCn1cc(CC(=O)O)c2ccc(Cl)c(Cl)c21
InChIInChI=1S/C11H9Cl2NO2/c1-14-5-6(4-9(15)16)7-2-3-8(12)10(13)11(7)14/h2-3,5H,4H2,1H3,(H,15,16)
InChIKeyXCEVDKODXBHUSW-UHFFFAOYSA-N
XLogP3.11
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.10
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(6,7-dichloro-1-methylindol-3-yl)acetic acid?
The IUPAC name of 2-(6,7-dichloro-1-methylindol-3-yl)acetic acid (CID 83944788) is 2-(6,7-dichloro-1-methylindol-3-yl)acetic acid.
What is the SMILES notation for 2-(6,7-dichloro-1-methylindol-3-yl)acetic acid?
The canonical SMILES for 2-(6,7-dichloro-1-methylindol-3-yl)acetic acid is Cn1cc(CC(=O)O)c2ccc(Cl)c(Cl)c21.
What is the InChIKey of 2-(6,7-dichloro-1-methylindol-3-yl)acetic acid?
The InChIKey is XCEVDKODXBHUSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2NO2/c1-14-5-6(4-9(15)16)7-2-3-8(12)10(13)11(7)14/h2-3,5H,4H2,1H3,(H,15,16).
What are the key properties of 2-(6,7-dichloro-1-methylindol-3-yl)acetic acid?
2-(6,7-dichloro-1-methylindol-3-yl)acetic acid has a molecular weight of 258.10 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,7-dichloro-1-methylindol-3-yl)acetic acid is sourced from PubChem (CID 83944788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).