2-(2-pyridin-3-ylethoxy)acetic acid

C9H11NO3 — CID 83530002

IUPAC2-(2-pyridin-3-ylethoxy)acetic acid
SMILESO=C(O)COCCc1cccnc1
InChIInChI=1S/C9H11NO3/c11-9(12)7-13-5-3-8-2-1-4-10-6-8/h1-2,4,6H,3,5,7H2,(H,11,12)
InChIKeyUZBYJBRSDSAAPA-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.73
Rot. Bonds5

About 2-(2-pyridin-3-ylethoxy)acetic acid

2-(2-pyridin-3-ylethoxy)acetic acid (PubChem CID 83530002) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is 2-(2-pyridin-3-ylethoxy)acetic acid.

Molecular Properties

Compound Name2-(2-pyridin-3-ylethoxy)acetic acid
PubChem CID83530002
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Name2-(2-pyridin-3-ylethoxy)acetic acid
SMILESO=C(O)COCCc1cccnc1
InChIInChI=1S/C9H11NO3/c11-9(12)7-13-5-3-8-2-1-4-10-6-8/h1-2,4,6H,3,5,7H2,(H,11,12)
InChIKeyUZBYJBRSDSAAPA-UHFFFAOYSA-N
XLogP0.73
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-[(2-pyridin-3-ylacetyl)amino]ethoxy]acetic acid
CID 79457634
2-[2-oxo-2-(pyridin-3-ylmethylamino)ethoxy]acetic acid
CID 3643287
3-(3-pyridin-3-ylpropoxy)propanoic acid
CID 21282788
3-pyridin-3-ylpropanoic acid;hydrochloride
CID 66648902
pyridine;2-pyridin-3-ylethyl acetate
CID 23213945
3-pyridin-3-ylpropyl hydrogen carbonate
CID 154111868
2-[2-[methyl(pyridin-3-yl)amino]ethoxy]acetic acid
CID 70416770
2-[(2-pyridin-3-ylacetyl)amino]oxyacetic acid
CID 63913163
3-pyridin-3-ylpropyl 2-(2-methoxyethoxy)acetate
CID 78831559
CID 66868100
CID 66868100
2-oxo-4-pyridin-3-ylbutanoic acid
CID 12014964
2-pyridin-3-ylethyl N-(diaminomethylidene)carbamate
CID 142116410

Frequently Asked Questions

What is the IUPAC name of 2-(2-pyridin-3-ylethoxy)acetic acid?
The IUPAC name of 2-(2-pyridin-3-ylethoxy)acetic acid (CID 83530002) is 2-(2-pyridin-3-ylethoxy)acetic acid.
What is the SMILES notation for 2-(2-pyridin-3-ylethoxy)acetic acid?
The canonical SMILES for 2-(2-pyridin-3-ylethoxy)acetic acid is O=C(O)COCCc1cccnc1.
What is the InChIKey of 2-(2-pyridin-3-ylethoxy)acetic acid?
The InChIKey is UZBYJBRSDSAAPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3/c11-9(12)7-13-5-3-8-2-1-4-10-6-8/h1-2,4,6H,3,5,7H2,(H,11,12).
What are the key properties of 2-(2-pyridin-3-ylethoxy)acetic acid?
2-(2-pyridin-3-ylethoxy)acetic acid has a molecular weight of 181.19 g/mol, XLogP of 0.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pyridin-3-ylethoxy)acetic acid is sourced from PubChem (CID 83530002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).