2-(6-fluoro-1H-indol-3-yl)-2-hydroxyacetic acid

C10H8FNO3 — CID 115073431

IUPAC2-(6-fluoro-1H-indol-3-yl)-2-hydroxyacetic acid
SMILESO=C(O)C(O)c1c[nH]c2cc(F)ccc12
InChIInChI=1S/C10H8FNO3/c11-5-1-2-6-7(9(13)10(14)15)4-12-8(6)3-5/h1-4,9,12-13H,(H,14,15)
InChIKeyXPYMCCGXOYXBRX-UHFFFAOYSA-N
MW209.18 g/mol
LogP1.42
Rot. Bonds2

About 2-(6-fluoro-1H-indol-3-yl)-2-hydroxyacetic acid

2-(6-fluoro-1H-indol-3-yl)-2-hydroxyacetic acid (PubChem CID 115073431) has the molecular formula C10H8FNO3 and a molecular weight of 209.18 g/mol. Its IUPAC name is 2-(6-fluoro-1H-indol-3-yl)-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-(6-fluoro-1H-indol-3-yl)-2-hydroxyacetic acid
PubChem CID115073431
Molecular FormulaC10H8FNO3
Molecular Weight209.18 g/mol
Exact Mass209.05
IUPAC Name2-(6-fluoro-1H-indol-3-yl)-2-hydroxyacetic acid
SMILESO=C(O)C(O)c1c[nH]c2cc(F)ccc12
InChIInChI=1S/C10H8FNO3/c11-5-1-2-6-7(9(13)10(14)15)4-12-8(6)3-5/h1-4,9,12-13H,(H,14,15)
InChIKeyXPYMCCGXOYXBRX-UHFFFAOYSA-N
XLogP1.42
TPSA73.32 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.18
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-hydroxy-2-(6-methyl-1H-indol-3-yl)acetic acid
CID 131561654
ethyl 2-(6-fluoro-1H-indol-3-yl)-2-hydroxyacetate
CID 115073267
methyl 3-(6-fluoro-1H-indol-3-yl)-2,3-dihydroxypropanoate
CID 171865464
(2R)-2-(6-fluoro-1H-indol-3-yl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetic acid
CID 29128233
(2S)-2-(6-fluoro-1H-indol-3-yl)-2-morpholin-4-ylacetic acid
CID 29126778
2-(5-bromo-1H-indol-3-yl)-2-hydroxyacetic acid
CID 115073394
4-(2,4-dimethylphenyl)-2-(6-fluoro-1H-indol-3-yl)-4-oxobutanoic acid
CID 147786619
2-(4-fluoro-2-hydroxyphenyl)-2-hydroxyacetic acid
CID 117280331
(2S)-2-(6-fluoro-1H-indol-3-yl)-2-[(1R,5R)-1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl]acetic acid
CID 98219088
(2R)-2-(4-benzylpiperazin-1-yl)-2-(6-fluoro-1H-indol-3-yl)acetic acid
CID 29112289
(2S)-3-(6-fluoro-1H-indol-3-yl)-2-methoxypropanoic acid
CID 167015185
(2R)-2-(4-ethoxycarbonylpiperazin-1-yl)-2-(6-fluoro-1H-indol-3-yl)acetic acid
CID 42581936

Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-1H-indol-3-yl)-2-hydroxyacetic acid?
The IUPAC name of 2-(6-fluoro-1H-indol-3-yl)-2-hydroxyacetic acid (CID 115073431) is 2-(6-fluoro-1H-indol-3-yl)-2-hydroxyacetic acid.
What is the SMILES notation for 2-(6-fluoro-1H-indol-3-yl)-2-hydroxyacetic acid?
The canonical SMILES for 2-(6-fluoro-1H-indol-3-yl)-2-hydroxyacetic acid is O=C(O)C(O)c1c[nH]c2cc(F)ccc12.
What is the InChIKey of 2-(6-fluoro-1H-indol-3-yl)-2-hydroxyacetic acid?
The InChIKey is XPYMCCGXOYXBRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FNO3/c11-5-1-2-6-7(9(13)10(14)15)4-12-8(6)3-5/h1-4,9,12-13H,(H,14,15).
What are the key properties of 2-(6-fluoro-1H-indol-3-yl)-2-hydroxyacetic acid?
2-(6-fluoro-1H-indol-3-yl)-2-hydroxyacetic acid has a molecular weight of 209.18 g/mol, XLogP of 1.42, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-1H-indol-3-yl)-2-hydroxyacetic acid is sourced from PubChem (CID 115073431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).