2-(7-chloro-1H-indol-3-yl)acetic acid

C10H8ClNO2 — CID 3083739

IUPAC2-(7-chloro-1H-indol-3-yl)acetic acid
SMILESO=C(O)Cc1c[nH]c2c(Cl)cccc12
InChIInChI=1S/C10H8ClNO2/c11-8-3-1-2-7-6(4-9(13)14)5-12-10(7)8/h1-3,5,12H,4H2,(H,13,14)
InChIKeyIFOAZUXPPBRTBS-UHFFFAOYSA-N
MW209.63 g/mol
LogP2.45
Rot. Bonds2

About 2-(7-chloro-1H-indol-3-yl)acetic acid

2-(7-chloro-1H-indol-3-yl)acetic acid (PubChem CID 3083739) has the molecular formula C10H8ClNO2 and a molecular weight of 209.63 g/mol. Its IUPAC name is 2-(7-chloro-1H-indol-3-yl)acetic acid.

Molecular Properties

Compound Name2-(7-chloro-1H-indol-3-yl)acetic acid
PubChem CID3083739
Molecular FormulaC10H8ClNO2
Molecular Weight209.63 g/mol
Exact Mass209.02
IUPAC Name2-(7-chloro-1H-indol-3-yl)acetic acid
SMILESO=C(O)Cc1c[nH]c2c(Cl)cccc12
InChIInChI=1S/C10H8ClNO2/c11-8-3-1-2-7-6(4-9(13)14)5-12-10(7)8/h1-3,5,12H,4H2,(H,13,14)
InChIKeyIFOAZUXPPBRTBS-UHFFFAOYSA-N
XLogP2.45
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.63
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(7-chloro-1H-indol-3-yl)acetic acid?
The IUPAC name of 2-(7-chloro-1H-indol-3-yl)acetic acid (CID 3083739) is 2-(7-chloro-1H-indol-3-yl)acetic acid.
What is the SMILES notation for 2-(7-chloro-1H-indol-3-yl)acetic acid?
The canonical SMILES for 2-(7-chloro-1H-indol-3-yl)acetic acid is O=C(O)Cc1c[nH]c2c(Cl)cccc12.
What is the InChIKey of 2-(7-chloro-1H-indol-3-yl)acetic acid?
The InChIKey is IFOAZUXPPBRTBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClNO2/c11-8-3-1-2-7-6(4-9(13)14)5-12-10(7)8/h1-3,5,12H,4H2,(H,13,14).
What are the key properties of 2-(7-chloro-1H-indol-3-yl)acetic acid?
2-(7-chloro-1H-indol-3-yl)acetic acid has a molecular weight of 209.63 g/mol, XLogP of 2.45, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chloro-1H-indol-3-yl)acetic acid is sourced from PubChem (CID 3083739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).