2-(5-fluoro-1-methylindol-3-yl)acetic acid

C11H10FNO2 — CID 22485712

IUPAC2-(5-fluoro-1-methylindol-3-yl)acetic acid
SMILESCn1cc(CC(=O)O)c2cc(F)ccc21
InChIInChI=1S/C11H10FNO2/c1-13-6-7(4-11(14)15)9-5-8(12)2-3-10(9)13/h2-3,5-6H,4H2,1H3,(H,14,15)
InChIKeyOTQYMPMYLBKLJU-UHFFFAOYSA-N
MW207.20 g/mol
LogP1.94
Rot. Bonds2

About 2-(5-fluoro-1-methylindol-3-yl)acetic acid

2-(5-fluoro-1-methylindol-3-yl)acetic acid (PubChem CID 22485712) has the molecular formula C11H10FNO2 and a molecular weight of 207.20 g/mol. Its IUPAC name is 2-(5-fluoro-1-methylindol-3-yl)acetic acid.

Molecular Properties

Compound Name2-(5-fluoro-1-methylindol-3-yl)acetic acid
PubChem CID22485712
Molecular FormulaC11H10FNO2
Molecular Weight207.20 g/mol
Exact Mass207.07
IUPAC Name2-(5-fluoro-1-methylindol-3-yl)acetic acid
SMILESCn1cc(CC(=O)O)c2cc(F)ccc21
InChIInChI=1S/C11H10FNO2/c1-13-6-7(4-11(14)15)9-5-8(12)2-3-10(9)13/h2-3,5-6H,4H2,1H3,(H,14,15)
InChIKeyOTQYMPMYLBKLJU-UHFFFAOYSA-N
XLogP1.94
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.20
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-1-methylindol-3-yl)acetic acid?
The IUPAC name of 2-(5-fluoro-1-methylindol-3-yl)acetic acid (CID 22485712) is 2-(5-fluoro-1-methylindol-3-yl)acetic acid.
What is the SMILES notation for 2-(5-fluoro-1-methylindol-3-yl)acetic acid?
The canonical SMILES for 2-(5-fluoro-1-methylindol-3-yl)acetic acid is Cn1cc(CC(=O)O)c2cc(F)ccc21.
What is the InChIKey of 2-(5-fluoro-1-methylindol-3-yl)acetic acid?
The InChIKey is OTQYMPMYLBKLJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNO2/c1-13-6-7(4-11(14)15)9-5-8(12)2-3-10(9)13/h2-3,5-6H,4H2,1H3,(H,14,15).
What are the key properties of 2-(5-fluoro-1-methylindol-3-yl)acetic acid?
2-(5-fluoro-1-methylindol-3-yl)acetic acid has a molecular weight of 207.20 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-1-methylindol-3-yl)acetic acid is sourced from PubChem (CID 22485712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).