2-[(6-ethynyl-3-pyridinyl)oxy]acetic acid

C9H7NO3 — CID 155337399

IUPAC2-[(6-ethynyl-3-pyridinyl)oxy]acetic acid
SMILESC#Cc1ccc(OCC(=O)O)cn1
InChIInChI=1S/C9H7NO3/c1-2-7-3-4-8(5-10-7)13-6-9(11)12/h1,3-5H,6H2,(H,11,12)
InChIKeyOKWZPPVRZUJANL-UHFFFAOYSA-N
MW177.16 g/mol
LogP0.53
Rot. Bonds3

About 2-[(6-ethynyl-3-pyridinyl)oxy]acetic acid

2-[(6-ethynyl-3-pyridinyl)oxy]acetic acid (PubChem CID 155337399) has the molecular formula C9H7NO3 and a molecular weight of 177.16 g/mol. Its IUPAC name is 2-[(6-ethynyl-3-pyridinyl)oxy]acetic acid.

Molecular Properties

Compound Name2-[(6-ethynyl-3-pyridinyl)oxy]acetic acid
PubChem CID155337399
Molecular FormulaC9H7NO3
Molecular Weight177.16 g/mol
Exact Mass177.04
IUPAC Name2-[(6-ethynyl-3-pyridinyl)oxy]acetic acid
SMILESC#Cc1ccc(OCC(=O)O)cn1
InChIInChI=1S/C9H7NO3/c1-2-7-3-4-8(5-10-7)13-6-9(11)12/h1,3-5H,6H2,(H,11,12)
InChIKeyOKWZPPVRZUJANL-UHFFFAOYSA-N
XLogP0.53
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.16
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-ethynyl-5-methoxypyridine
CID 175407476
2-[[6-(methylcarbamoyl)-3-pyridinyl]oxy]acetic acid
CID 119086981
2-[[6-[(E)-2-phenylethenyl]-3-pyridinyl]oxy]acetic acid
CID 129450942
2-[4-(phosphanylmethyl)phenoxy]acetic acid
CID 144578050
2-[(5-methoxy-2-pyridinyl)oxy]acetic acid
CID 106504767
2-(4-phosphanylphenoxy)acetic acid
CID 143227716
2-[4-[12-[4-(carboxymethoxy)phenoxy]dodecoxy]phenoxy]acetic acid
CID 139839554
2-phenoxyacetic acid;titanium
CID 174896747
bis(2-(4-chlorophenoxy)acetic acid);zinc
CID 11201418
magnesium;hydride;2-phenoxyacetic acid
CID 173069745
2-[(2-oxo-1H-pyrimidin-5-yl)oxy]acetic acid
CID 117229845
ethane;2-(4-sulfanylphenoxy)acetic acid
CID 69456856

Frequently Asked Questions

What is the IUPAC name of 2-[(6-ethynyl-3-pyridinyl)oxy]acetic acid?
The IUPAC name of 2-[(6-ethynyl-3-pyridinyl)oxy]acetic acid (CID 155337399) is 2-[(6-ethynyl-3-pyridinyl)oxy]acetic acid.
What is the SMILES notation for 2-[(6-ethynyl-3-pyridinyl)oxy]acetic acid?
The canonical SMILES for 2-[(6-ethynyl-3-pyridinyl)oxy]acetic acid is C#Cc1ccc(OCC(=O)O)cn1.
What is the InChIKey of 2-[(6-ethynyl-3-pyridinyl)oxy]acetic acid?
The InChIKey is OKWZPPVRZUJANL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO3/c1-2-7-3-4-8(5-10-7)13-6-9(11)12/h1,3-5H,6H2,(H,11,12).
What are the key properties of 2-[(6-ethynyl-3-pyridinyl)oxy]acetic acid?
2-[(6-ethynyl-3-pyridinyl)oxy]acetic acid has a molecular weight of 177.16 g/mol, XLogP of 0.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-ethynyl-3-pyridinyl)oxy]acetic acid is sourced from PubChem (CID 155337399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).