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

C11H10BrNO3 — CID 115073019

IUPAC2-(6-bromo-2-methyl-1H-indol-3-yl)-2-hydroxyacetic acid
SMILESCc1[nH]c2cc(Br)ccc2c1C(O)C(=O)O
InChIInChI=1S/C11H10BrNO3/c1-5-9(10(14)11(15)16)7-3-2-6(12)4-8(7)13-5/h2-4,10,13-14H,1H3,(H,15,16)
InChIKeyQZMPOYCSUWXLIY-UHFFFAOYSA-N
MW284.11 g/mol
LogP2.36
Rot. Bonds2

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

2-(6-bromo-2-methyl-1H-indol-3-yl)-2-hydroxyacetic acid (PubChem CID 115073019) has the molecular formula C11H10BrNO3 and a molecular weight of 284.11 g/mol. Its IUPAC name is 2-(6-bromo-2-methyl-1H-indol-3-yl)-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-(6-bromo-2-methyl-1H-indol-3-yl)-2-hydroxyacetic acid
PubChem CID115073019
Molecular FormulaC11H10BrNO3
Molecular Weight284.11 g/mol
Exact Mass282.98
IUPAC Name2-(6-bromo-2-methyl-1H-indol-3-yl)-2-hydroxyacetic acid
SMILESCc1[nH]c2cc(Br)ccc2c1C(O)C(=O)O
InChIInChI=1S/C11H10BrNO3/c1-5-9(10(14)11(15)16)7-3-2-6(12)4-8(7)13-5/h2-4,10,13-14H,1H3,(H,15,16)
InChIKeyQZMPOYCSUWXLIY-UHFFFAOYSA-N
XLogP2.36
TPSA73.32 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.11
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

2-(6-bromo-1,2-dimethylindol-3-yl)-2-hydroxyacetic acid
CID 115073021
3-(6-bromo-2-methyl-1H-indol-3-yl)propanoic acid
CID 28806785
1-(6-bromo-2-methyl-1H-indol-3-yl)-2,2,2-trifluoroethanone;ethane
CID 144993430
3-(6-bromo-2-methyl-1H-indol-3-yl)-3-oxopropanenitrile
CID 84743323
2-(5-bromo-1H-indol-3-yl)-2-hydroxyacetic acid
CID 115073394
1-(6-bromo-2-methyl-1H-indol-3-yl)-N,N-dimethylmethanamine
CID 13384095
2-(5-bromo-2-methyl-1H-indol-3-yl)-2-methylpropanoic acid
CID 82502343
2-(5-bromo-2-methyl-1H-indol-3-yl)propan-1-amine
CID 82501769
2-(5-bromo-1-methylindol-2-yl)-2-hydroxyacetic acid
CID 115072027
2-(6-bromo-1H-indol-2-yl)propanoic acid
CID 115004482
2-methoxy-2-(2-methyl-1H-indol-3-yl)acetic acid
CID 70231951
5-bromo-N,N,2-trimethyl-1H-indole-3-carboxamide
CID 65335394

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromo-2-methyl-1H-indol-3-yl)-2-hydroxyacetic acid?
The IUPAC name of 2-(6-bromo-2-methyl-1H-indol-3-yl)-2-hydroxyacetic acid (CID 115073019) is 2-(6-bromo-2-methyl-1H-indol-3-yl)-2-hydroxyacetic acid.
What is the SMILES notation for 2-(6-bromo-2-methyl-1H-indol-3-yl)-2-hydroxyacetic acid?
The canonical SMILES for 2-(6-bromo-2-methyl-1H-indol-3-yl)-2-hydroxyacetic acid is Cc1[nH]c2cc(Br)ccc2c1C(O)C(=O)O.
What is the InChIKey of 2-(6-bromo-2-methyl-1H-indol-3-yl)-2-hydroxyacetic acid?
The InChIKey is QZMPOYCSUWXLIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrNO3/c1-5-9(10(14)11(15)16)7-3-2-6(12)4-8(7)13-5/h2-4,10,13-14H,1H3,(H,15,16).
What are the key properties of 2-(6-bromo-2-methyl-1H-indol-3-yl)-2-hydroxyacetic acid?
2-(6-bromo-2-methyl-1H-indol-3-yl)-2-hydroxyacetic acid has a molecular weight of 284.11 g/mol, XLogP of 2.36, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromo-2-methyl-1H-indol-3-yl)-2-hydroxyacetic acid is sourced from PubChem (CID 115073019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).