2-[1-(5-bromo-2-pyridinyl)ethoxy]acetic acid

C9H10BrNO3 — CID 175512349

IUPAC2-[1-(5-bromo-2-pyridinyl)ethoxy]acetic acid
SMILESCC(OCC(=O)O)c1ccc(Br)cn1
InChIInChI=1S/C9H10BrNO3/c1-6(14-5-9(12)13)8-3-2-7(10)4-11-8/h2-4,6H,5H2,1H3,(H,12,13)
InChIKeyJBFVEIDYEWAVGU-UHFFFAOYSA-N
MW260.09 g/mol
LogP2.01
Rot. Bonds4

About 2-[1-(5-bromo-2-pyridinyl)ethoxy]acetic acid

2-[1-(5-bromo-2-pyridinyl)ethoxy]acetic acid (PubChem CID 175512349) has the molecular formula C9H10BrNO3 and a molecular weight of 260.09 g/mol. Its IUPAC name is 2-[1-(5-bromo-2-pyridinyl)ethoxy]acetic acid.

Molecular Properties

Compound Name2-[1-(5-bromo-2-pyridinyl)ethoxy]acetic acid
PubChem CID175512349
Molecular FormulaC9H10BrNO3
Molecular Weight260.09 g/mol
Exact Mass258.98
IUPAC Name2-[1-(5-bromo-2-pyridinyl)ethoxy]acetic acid
SMILESCC(OCC(=O)O)c1ccc(Br)cn1
InChIInChI=1S/C9H10BrNO3/c1-6(14-5-9(12)13)8-3-2-7(10)4-11-8/h2-4,6H,5H2,1H3,(H,12,13)
InChIKeyJBFVEIDYEWAVGU-UHFFFAOYSA-N
XLogP2.01
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.09
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromo-2-pyridinyl)ethanol
CID 42614288
ethyl (3R)-3-amino-3-(5-bromo-2-pyridinyl)-2-fluoropropanoate
CID 171240736
6-[(1R)-1-(2,2,2-trifluoroethoxy)ethyl]pyridine-3-carboxylic acid
CID 125497910
[(1S)-1-(5-bromo-2-pyridinyl)ethyl]azanium chloride
CID 89251860
6-[(1R)-1-ethoxyethyl]pyridine-3-carboxamide
CID 135044920
(2R)-2-(5-bromo-2-pyridinyl)-2-cyanoacetic acid
CID 86339070
(1S)-1-(5-bromo-2-pyridinyl)-N-methylethanamine
CID 130641134
1-(5-bromo-2-pyridinyl)-2-methylpentan-1-ol
CID 107892788
2-[1-[5-(3-methyl-2-oxo-1-propan-2-ylimidazo[4,5-c]cinnolin-8-yl)-2-pyridinyl]ethoxy]acetic acid
CID 175512334
ethyl 4-(5-bromo-2-pyridinyl)-4-chlorobutanoate
CID 103440029
2-(5-bromo-2-pyridinyl)-3-(2-methylphenyl)propanoic acid
CID 104572904
4-[(1S)-1-(5-bromo-2-pyridinyl)-2-methoxyethyl]cyclohexane-1-carboxylic acid
CID 70982712

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-bromo-2-pyridinyl)ethoxy]acetic acid?
The IUPAC name of 2-[1-(5-bromo-2-pyridinyl)ethoxy]acetic acid (CID 175512349) is 2-[1-(5-bromo-2-pyridinyl)ethoxy]acetic acid.
What is the SMILES notation for 2-[1-(5-bromo-2-pyridinyl)ethoxy]acetic acid?
The canonical SMILES for 2-[1-(5-bromo-2-pyridinyl)ethoxy]acetic acid is CC(OCC(=O)O)c1ccc(Br)cn1.
What is the InChIKey of 2-[1-(5-bromo-2-pyridinyl)ethoxy]acetic acid?
The InChIKey is JBFVEIDYEWAVGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO3/c1-6(14-5-9(12)13)8-3-2-7(10)4-11-8/h2-4,6H,5H2,1H3,(H,12,13).
What are the key properties of 2-[1-(5-bromo-2-pyridinyl)ethoxy]acetic acid?
2-[1-(5-bromo-2-pyridinyl)ethoxy]acetic acid has a molecular weight of 260.09 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-bromo-2-pyridinyl)ethoxy]acetic acid is sourced from PubChem (CID 175512349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).