2-(6-bromoquinolin-3-yl)oxyacetic acid

C11H8BrNO3 — CID 171649153

IUPAC2-(6-bromoquinolin-3-yl)oxyacetic acid
SMILESO=C(O)COc1cnc2ccc(Br)cc2c1
InChIInChI=1S/C11H8BrNO3/c12-8-1-2-10-7(3-8)4-9(5-13-10)16-6-11(14)15/h1-5H,6H2,(H,14,15)
InChIKeyBRHPUXHLLBGZBL-UHFFFAOYSA-N
MW282.09 g/mol
LogP2.46
Rot. Bonds3

About 2-(6-bromoquinolin-3-yl)oxyacetic acid

2-(6-bromoquinolin-3-yl)oxyacetic acid (PubChem CID 171649153) has the molecular formula C11H8BrNO3 and a molecular weight of 282.09 g/mol. Its IUPAC name is 2-(6-bromoquinolin-3-yl)oxyacetic acid.

Molecular Properties

Compound Name2-(6-bromoquinolin-3-yl)oxyacetic acid
PubChem CID171649153
Molecular FormulaC11H8BrNO3
Molecular Weight282.09 g/mol
Exact Mass280.97
IUPAC Name2-(6-bromoquinolin-3-yl)oxyacetic acid
SMILESO=C(O)COc1cnc2ccc(Br)cc2c1
InChIInChI=1S/C11H8BrNO3/c12-8-1-2-10-7(3-8)4-9(5-13-10)16-6-11(14)15/h1-5H,6H2,(H,14,15)
InChIKeyBRHPUXHLLBGZBL-UHFFFAOYSA-N
XLogP2.46
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.09
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(6-bromoquinolin-3-yl) carbamate
CID 175521488
2-[2-(6-bromoquinolin-3-yl)oxyethoxy]pyridine-4-carboxylic acid
CID 168916647
(2S)-2-(6-bromoquinolin-3-yl)oxypropan-1-ol
CID 168916570
2-(3-bromoquinolin-6-yl)acetic acid
CID 59320341
3-(6-bromoquinolin-3-yl)oxypyrrolidine-1-carboxylic acid
CID 89443577
2-[4-[(E)-2-(4-bromophenyl)ethenyl]phenoxy]acetic acid
CID 5377973
2-(6-bromoquinolin-3-yl)oxy-N-tert-butyl-2-methoxyacetamide
CID 67322358
6-bromo-3-[2-(1-methylpyrazol-4-yl)ethoxy]quinoline
CID 136532737
2-phenazin-2-yloxyacetic acid
CID 97034009
2-[2-(6-bromoquinolin-3-yl)oxyethoxy]pyridine-4-carbonitrile
CID 168916731
4-bromo-2-quinolin-3-yloxybenzoic acid
CID 107387489
2-[3-[(E)-3-(4-bromo-2-fluorophenyl)prop-2-enoyl]phenoxy]acetic acid
CID 9448850

Frequently Asked Questions

What is the IUPAC name of 2-(6-bromoquinolin-3-yl)oxyacetic acid?
The IUPAC name of 2-(6-bromoquinolin-3-yl)oxyacetic acid (CID 171649153) is 2-(6-bromoquinolin-3-yl)oxyacetic acid.
What is the SMILES notation for 2-(6-bromoquinolin-3-yl)oxyacetic acid?
The canonical SMILES for 2-(6-bromoquinolin-3-yl)oxyacetic acid is O=C(O)COc1cnc2ccc(Br)cc2c1.
What is the InChIKey of 2-(6-bromoquinolin-3-yl)oxyacetic acid?
The InChIKey is BRHPUXHLLBGZBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrNO3/c12-8-1-2-10-7(3-8)4-9(5-13-10)16-6-11(14)15/h1-5H,6H2,(H,14,15).
What are the key properties of 2-(6-bromoquinolin-3-yl)oxyacetic acid?
2-(6-bromoquinolin-3-yl)oxyacetic acid has a molecular weight of 282.09 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromoquinolin-3-yl)oxyacetic acid is sourced from PubChem (CID 171649153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).