methyl 2-(7-bromo-1H-indol-2-yl)-2-hydroxyacetate

C11H10BrNO3 — CID 115072356

IUPACmethyl 2-(7-bromo-1H-indol-2-yl)-2-hydroxyacetate
SMILESCOC(=O)C(O)c1cc2cccc(Br)c2[nH]1
InChIInChI=1S/C11H10BrNO3/c1-16-11(15)10(14)8-5-6-3-2-4-7(12)9(6)13-8/h2-5,10,13-14H,1H3
InChIKeyXCBKGFFWAVLSQB-UHFFFAOYSA-N
MW284.11 g/mol
LogP2.14
Rot. Bonds2

About methyl 2-(7-bromo-1H-indol-2-yl)-2-hydroxyacetate

methyl 2-(7-bromo-1H-indol-2-yl)-2-hydroxyacetate (PubChem CID 115072356) has the molecular formula C11H10BrNO3 and a molecular weight of 284.11 g/mol. Its IUPAC name is methyl 2-(7-bromo-1H-indol-2-yl)-2-hydroxyacetate.

Molecular Properties

Compound Namemethyl 2-(7-bromo-1H-indol-2-yl)-2-hydroxyacetate
PubChem CID115072356
Molecular FormulaC11H10BrNO3
Molecular Weight284.11 g/mol
Exact Mass282.98
IUPAC Namemethyl 2-(7-bromo-1H-indol-2-yl)-2-hydroxyacetate
SMILESCOC(=O)C(O)c1cc2cccc(Br)c2[nH]1
InChIInChI=1S/C11H10BrNO3/c1-16-11(15)10(14)8-5-6-3-2-4-7(12)9(6)13-8/h2-5,10,13-14H,1H3
InChIKeyXCBKGFFWAVLSQB-UHFFFAOYSA-N
XLogP2.14
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.11
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(5-fluoro-1H-indol-2-yl)-2-hydroxyacetate
CID 115072028
methyl 2-(3-bromo-2-fluorophenyl)-2-hydroxyacetate
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methyl 2-(2-bromo-6-methylsulfanylphenyl)-2-hydroxyacetate
CID 117470273
methyl 2-hydroxy-2-(1H-pyrrol-2-yl)acetate
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methyl (2R)-2-(6-bromo-2-pyridinyl)-2-hydroxyacetate
CID 129394725
methyl 2-(4-bromo-1-benzothiophen-2-yl)-2-hydroxyacetate
CID 115071904
methyl 2-[3-bromo-4-(dimethylamino)phenyl]-2-hydroxyacetate
CID 117464980
3,8-dibromo-1H-quinolin-2-one
CID 91465059
methyl 2-(3-bromo-4-methoxyphenyl)-2-hydroxyacetate
CID 62214467
methyl 2-[3-bromo-4-(methoxymethyl)phenyl]-2-hydroxyacetate
CID 117466740
methyl 2-(2-bromo-5-fluorophenyl)-2-hydroxyacetate
CID 103946884
(2-bromophenyl)hydrazine;methyl 7-bromo-1H-indole-2-carboxylate;methyl (2E)-2-[(2-bromophenyl)hydrazinylidene]propanoate
CID 172936573

Frequently Asked Questions

What is the IUPAC name of methyl 2-(7-bromo-1H-indol-2-yl)-2-hydroxyacetate?
The IUPAC name of methyl 2-(7-bromo-1H-indol-2-yl)-2-hydroxyacetate (CID 115072356) is methyl 2-(7-bromo-1H-indol-2-yl)-2-hydroxyacetate.
What is the SMILES notation for methyl 2-(7-bromo-1H-indol-2-yl)-2-hydroxyacetate?
The canonical SMILES for methyl 2-(7-bromo-1H-indol-2-yl)-2-hydroxyacetate is COC(=O)C(O)c1cc2cccc(Br)c2[nH]1.
What is the InChIKey of methyl 2-(7-bromo-1H-indol-2-yl)-2-hydroxyacetate?
The InChIKey is XCBKGFFWAVLSQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrNO3/c1-16-11(15)10(14)8-5-6-3-2-4-7(12)9(6)13-8/h2-5,10,13-14H,1H3.
What are the key properties of methyl 2-(7-bromo-1H-indol-2-yl)-2-hydroxyacetate?
methyl 2-(7-bromo-1H-indol-2-yl)-2-hydroxyacetate has a molecular weight of 284.11 g/mol, XLogP of 2.14, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(7-bromo-1H-indol-2-yl)-2-hydroxyacetate is sourced from PubChem (CID 115072356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).