2-(5-bromo-1-methylindol-2-yl)-2-hydroxyacetic acid

C11H10BrNO3 — CID 115072027

IUPAC2-(5-bromo-1-methylindol-2-yl)-2-hydroxyacetic acid
SMILESCn1c(C(O)C(=O)O)cc2cc(Br)ccc21
InChIInChI=1S/C11H10BrNO3/c1-13-8-3-2-7(12)4-6(8)5-9(13)10(14)11(15)16/h2-5,10,14H,1H3,(H,15,16)
InChIKeyCBPQITQLAYPKFR-UHFFFAOYSA-N
MW284.11 g/mol
LogP2.06
Rot. Bonds2

About 2-(5-bromo-1-methylindol-2-yl)-2-hydroxyacetic acid

2-(5-bromo-1-methylindol-2-yl)-2-hydroxyacetic acid (PubChem CID 115072027) has the molecular formula C11H10BrNO3 and a molecular weight of 284.11 g/mol. Its IUPAC name is 2-(5-bromo-1-methylindol-2-yl)-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-(5-bromo-1-methylindol-2-yl)-2-hydroxyacetic acid
PubChem CID115072027
Molecular FormulaC11H10BrNO3
Molecular Weight284.11 g/mol
Exact Mass282.98
IUPAC Name2-(5-bromo-1-methylindol-2-yl)-2-hydroxyacetic acid
SMILESCn1c(C(O)C(=O)O)cc2cc(Br)ccc21
InChIInChI=1S/C11H10BrNO3/c1-13-8-3-2-7(12)4-6(8)5-9(13)10(14)11(15)16/h2-5,10,14H,1H3,(H,15,16)
InChIKeyCBPQITQLAYPKFR-UHFFFAOYSA-N
XLogP2.06
TPSA62.46 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 ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-chloro-1-methylindol-2-yl)-2-hydroxyacetic acid
CID 115072026
3-(5-bromo-1-methylindol-2-yl)-2-methylpropanoic acid
CID 117121644
2-(6-bromo-1-methylindol-2-yl)propanoic acid
CID 117122840
2-(4-bromo-1-methylindol-2-yl)-2-hydroxyacetic acid
CID 115071837
2-(6-bromo-1,2-dimethylindol-3-yl)-2-hydroxyacetic acid
CID 115073021
3-(5-bromo-1-methylindol-2-yl)-2,2-dimethylpropanoic acid
CID 117195254
2-(6-bromo-1-methyl-2-oxoquinolin-3-yl)-2-methylpropanoic acid
CID 84646109
2-(5-bromoindol-1-yl)propanoic acid
CID 60756311
1-(5-bromo-1-methylindol-2-yl)-3-phenylpropan-1-one
CID 155205410
2-(5-bromo-1-benzothiophen-2-yl)-2-hydroxyacetic acid
CID 115072073
6-bromo-1-methyl-3-piperidin-1-ylquinolin-2-one
CID 135007599
2-[1-methyl-5-(trifluoromethyl)indol-2-yl]propanoic acid
CID 117121468

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-1-methylindol-2-yl)-2-hydroxyacetic acid?
The IUPAC name of 2-(5-bromo-1-methylindol-2-yl)-2-hydroxyacetic acid (CID 115072027) is 2-(5-bromo-1-methylindol-2-yl)-2-hydroxyacetic acid.
What is the SMILES notation for 2-(5-bromo-1-methylindol-2-yl)-2-hydroxyacetic acid?
The canonical SMILES for 2-(5-bromo-1-methylindol-2-yl)-2-hydroxyacetic acid is Cn1c(C(O)C(=O)O)cc2cc(Br)ccc21.
What is the InChIKey of 2-(5-bromo-1-methylindol-2-yl)-2-hydroxyacetic acid?
The InChIKey is CBPQITQLAYPKFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrNO3/c1-13-8-3-2-7(12)4-6(8)5-9(13)10(14)11(15)16/h2-5,10,14H,1H3,(H,15,16).
What are the key properties of 2-(5-bromo-1-methylindol-2-yl)-2-hydroxyacetic acid?
2-(5-bromo-1-methylindol-2-yl)-2-hydroxyacetic acid has a molecular weight of 284.11 g/mol, XLogP of 2.06, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-1-methylindol-2-yl)-2-hydroxyacetic acid is sourced from PubChem (CID 115072027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).