3-(6-chloroindol-1-yl)propanoic acid

C11H10ClNO2 — CID 43163556

IUPAC3-(6-chloroindol-1-yl)propanoic acid
SMILESO=C(O)CCn1ccc2ccc(Cl)cc21
InChIInChI=1S/C11H10ClNO2/c12-9-2-1-8-3-5-13(10(8)7-9)6-4-11(14)15/h1-3,5,7H,4,6H2,(H,14,15)
InChIKeyLLEYHJBTSQUOOP-UHFFFAOYSA-N
MW223.66 g/mol
LogP2.77
Rot. Bonds3

About 3-(6-chloroindol-1-yl)propanoic acid

3-(6-chloroindol-1-yl)propanoic acid (PubChem CID 43163556) has the molecular formula C11H10ClNO2 and a molecular weight of 223.66 g/mol. Its IUPAC name is 3-(6-chloroindol-1-yl)propanoic acid.

Molecular Properties

Compound Name3-(6-chloroindol-1-yl)propanoic acid
PubChem CID43163556
Molecular FormulaC11H10ClNO2
Molecular Weight223.66 g/mol
Exact Mass223.04
IUPAC Name3-(6-chloroindol-1-yl)propanoic acid
SMILESO=C(O)CCn1ccc2ccc(Cl)cc21
InChIInChI=1S/C11H10ClNO2/c12-9-2-1-8-3-5-13(10(8)7-9)6-4-11(14)15/h1-3,5,7H,4,6H2,(H,14,15)
InChIKeyLLEYHJBTSQUOOP-UHFFFAOYSA-N
XLogP2.77
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.66
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(6-chloroindol-1-yl)propanoic acid?
The IUPAC name of 3-(6-chloroindol-1-yl)propanoic acid (CID 43163556) is 3-(6-chloroindol-1-yl)propanoic acid.
What is the SMILES notation for 3-(6-chloroindol-1-yl)propanoic acid?
The canonical SMILES for 3-(6-chloroindol-1-yl)propanoic acid is O=C(O)CCn1ccc2ccc(Cl)cc21.
What is the InChIKey of 3-(6-chloroindol-1-yl)propanoic acid?
The InChIKey is LLEYHJBTSQUOOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNO2/c12-9-2-1-8-3-5-13(10(8)7-9)6-4-11(14)15/h1-3,5,7H,4,6H2,(H,14,15).
What are the key properties of 3-(6-chloroindol-1-yl)propanoic acid?
3-(6-chloroindol-1-yl)propanoic acid has a molecular weight of 223.66 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloroindol-1-yl)propanoic acid is sourced from PubChem (CID 43163556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).