methyl 2-(5-fluoro-1H-indol-2-yl)-2-hydroxyacetate

C11H10FNO3 — CID 115072028

IUPACmethyl 2-(5-fluoro-1H-indol-2-yl)-2-hydroxyacetate
SMILESCOC(=O)C(O)c1cc2cc(F)ccc2[nH]1
InChIInChI=1S/C11H10FNO3/c1-16-11(15)10(14)9-5-6-4-7(12)2-3-8(6)13-9/h2-5,10,13-14H,1H3
InChIKeyHKZKAIQQGJINLR-UHFFFAOYSA-N
MW223.20 g/mol
LogP1.51
Rot. Bonds2

About methyl 2-(5-fluoro-1H-indol-2-yl)-2-hydroxyacetate

methyl 2-(5-fluoro-1H-indol-2-yl)-2-hydroxyacetate (PubChem CID 115072028) has the molecular formula C11H10FNO3 and a molecular weight of 223.20 g/mol. Its IUPAC name is methyl 2-(5-fluoro-1H-indol-2-yl)-2-hydroxyacetate.

Molecular Properties

Compound Namemethyl 2-(5-fluoro-1H-indol-2-yl)-2-hydroxyacetate
PubChem CID115072028
Molecular FormulaC11H10FNO3
Molecular Weight223.20 g/mol
Exact Mass223.06
IUPAC Namemethyl 2-(5-fluoro-1H-indol-2-yl)-2-hydroxyacetate
SMILESCOC(=O)C(O)c1cc2cc(F)ccc2[nH]1
InChIInChI=1S/C11H10FNO3/c1-16-11(15)10(14)9-5-6-4-7(12)2-3-8(6)13-9/h2-5,10,13-14H,1H3
InChIKeyHKZKAIQQGJINLR-UHFFFAOYSA-N
XLogP1.51
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.20
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(7-bromo-1H-indol-2-yl)-2-hydroxyacetate
CID 115072356
methyl (2S)-2-(4-fluoro-2-methylphenyl)-2-hydroxyacetate
CID 129367520
methyl 3-(5-fluoro-1H-indol-2-yl)propanoate
CID 68676585
methyl 2-(2-bromo-5-fluorophenyl)-2-hydroxyacetate
CID 103946884
(2R)-2-(4-fluorophenyl)-2-hydroxyacetic acid;methyl 2-(4-fluorophenyl)-2-hydroxyacetate
CID 161223884
5-fluoro-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-1H-indole-2-carboxamide
CID 111115526
(2S,3S)-2-[(5-fluoro-1H-indole-2-carbonyl)amino]-3-methylpentanoic acid
CID 119194117
ethyl N-[4-[(5-fluoro-1H-indole-2-carbonyl)amino]phenyl]carbamate
CID 60515778
5-fluoro-N-(1-phenylethyl)-1H-indole-2-carboxamide
CID 4910187
1-(5-fluoro-1H-indol-2-yl)-2-(methylamino)ethanone
CID 82396041
methyl 2-(6-fluoronaphthalen-2-yl)propanoate
CID 70591707
5-fluoro-N-(3-hydroxy-2,2,4-trimethylpentyl)-1H-indole-2-carboxamide
CID 109380589

Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-fluoro-1H-indol-2-yl)-2-hydroxyacetate?
The IUPAC name of methyl 2-(5-fluoro-1H-indol-2-yl)-2-hydroxyacetate (CID 115072028) is methyl 2-(5-fluoro-1H-indol-2-yl)-2-hydroxyacetate.
What is the SMILES notation for methyl 2-(5-fluoro-1H-indol-2-yl)-2-hydroxyacetate?
The canonical SMILES for methyl 2-(5-fluoro-1H-indol-2-yl)-2-hydroxyacetate is COC(=O)C(O)c1cc2cc(F)ccc2[nH]1.
What is the InChIKey of methyl 2-(5-fluoro-1H-indol-2-yl)-2-hydroxyacetate?
The InChIKey is HKZKAIQQGJINLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNO3/c1-16-11(15)10(14)9-5-6-4-7(12)2-3-8(6)13-9/h2-5,10,13-14H,1H3.
What are the key properties of methyl 2-(5-fluoro-1H-indol-2-yl)-2-hydroxyacetate?
methyl 2-(5-fluoro-1H-indol-2-yl)-2-hydroxyacetate has a molecular weight of 223.20 g/mol, XLogP of 1.51, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-fluoro-1H-indol-2-yl)-2-hydroxyacetate is sourced from PubChem (CID 115072028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).