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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Related Compounds

2-amino-3-(5,7-dichloro-1H-indol-3-yl)propanoic acid
CID 170356584
5,7-dichloro-3-(1-cyclohexylethyl)-1H-indole
CID 106985139
1-(2,5,7-trichloro-1H-indol-3-yl)ethanol
CID 82269510
2-(2,5-dichloro-3-fluorophenyl)propanoic acid
CID 117345921
7-amino-3-propan-2-yl-1H-indole-5-carboxylic acid
CID 91185391
2-(5-chloro-2-ethoxy-3-methylphenyl)propanoic acid
CID 83899428
2-(5-chloro-1-methylindol-3-yl)propanoic acid
CID 18175124
2-(5-chloro-3,4-dimethoxy-2-methylphenyl)propanoic acid
CID 117400479
3-[[4-[1-(5,7-dichloro-1H-indol-3-yl)-1-(3,4-difluorophenyl)hexan-2-yl]benzoyl]amino]propanoic acid
CID 24936519
2-(3-chloro-4-propan-2-ylphenyl)propanoic acid
CID 84791168
2-[5-chloro-2-methoxy-3-(trifluoromethyl)phenyl]propanoic acid
CID 117454100
2-(4,6-dimethyl-1H-indol-3-yl)propanoic acid
CID 67337571

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).