2-(5,7-dichloro-1H-indol-3-yl)propanoic acid

C11H9Cl2NO2 — CID 14535950

IUPAC2-(5,7-dichloro-1H-indol-3-yl)propanoic acid
SMILESCC(C(=O)O)c1c[nH]c2c(Cl)cc(Cl)cc12
InChIInChI=1S/C11H9Cl2NO2/c1-5(11(15)16)8-4-14-10-7(8)2-6(12)3-9(10)13/h2-5,14H,1H3,(H,15,16)
InChIKeyHWMUNIIKOSFUPP-UHFFFAOYSA-N
MW258.10 g/mol
LogP3.66
Rot. Bonds2

About 2-(5,7-dichloro-1H-indol-3-yl)propanoic acid

2-(5,7-dichloro-1H-indol-3-yl)propanoic acid (PubChem CID 14535950) has the molecular formula C11H9Cl2NO2 and a molecular weight of 258.10 g/mol. Its IUPAC name is 2-(5,7-dichloro-1H-indol-3-yl)propanoic acid.

Molecular Properties

Compound Name2-(5,7-dichloro-1H-indol-3-yl)propanoic acid
PubChem CID14535950
Molecular FormulaC11H9Cl2NO2
Molecular Weight258.10 g/mol
Exact Mass257.00
IUPAC Name2-(5,7-dichloro-1H-indol-3-yl)propanoic acid
SMILESCC(C(=O)O)c1c[nH]c2c(Cl)cc(Cl)cc12
InChIInChI=1S/C11H9Cl2NO2/c1-5(11(15)16)8-4-14-10-7(8)2-6(12)3-9(10)13/h2-5,14H,1H3,(H,15,16)
InChIKeyHWMUNIIKOSFUPP-UHFFFAOYSA-N
XLogP3.66
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.10
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(5,7-dichloro-1H-indol-3-yl)propanoic acid?
The IUPAC name of 2-(5,7-dichloro-1H-indol-3-yl)propanoic acid (CID 14535950) is 2-(5,7-dichloro-1H-indol-3-yl)propanoic acid.
What is the SMILES notation for 2-(5,7-dichloro-1H-indol-3-yl)propanoic acid?
The canonical SMILES for 2-(5,7-dichloro-1H-indol-3-yl)propanoic acid is CC(C(=O)O)c1c[nH]c2c(Cl)cc(Cl)cc12.
What is the InChIKey of 2-(5,7-dichloro-1H-indol-3-yl)propanoic acid?
The InChIKey is HWMUNIIKOSFUPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2NO2/c1-5(11(15)16)8-4-14-10-7(8)2-6(12)3-9(10)13/h2-5,14H,1H3,(H,15,16).
What are the key properties of 2-(5,7-dichloro-1H-indol-3-yl)propanoic acid?
2-(5,7-dichloro-1H-indol-3-yl)propanoic acid has a molecular weight of 258.10 g/mol, XLogP of 3.66, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,7-dichloro-1H-indol-3-yl)propanoic acid is sourced from PubChem (CID 14535950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).