2-(2-pyridin-2-yloxyphenoxy)but-2-enoic acid

C15H13NO4 — CID 70557926

IUPAC2-(2-pyridin-2-yloxyphenoxy)but-2-enoic acid
SMILESCC=C(Oc1ccccc1Oc1ccccn1)C(=O)O
InChIInChI=1S/C15H13NO4/c1-2-11(15(17)18)19-12-7-3-4-8-13(12)20-14-9-5-6-10-16-14/h2-10H,1H3,(H,17,18)
InChIKeyBUKMAZHHCGSRRA-UHFFFAOYSA-N
MW271.27 g/mol
LogP3.24
Rot. Bonds5

About 2-(2-pyridin-2-yloxyphenoxy)but-2-enoic acid

2-(2-pyridin-2-yloxyphenoxy)but-2-enoic acid (PubChem CID 70557926) has the molecular formula C15H13NO4 and a molecular weight of 271.27 g/mol. Its IUPAC name is 2-(2-pyridin-2-yloxyphenoxy)but-2-enoic acid.

Molecular Properties

Compound Name2-(2-pyridin-2-yloxyphenoxy)but-2-enoic acid
PubChem CID70557926
Molecular FormulaC15H13NO4
Molecular Weight271.27 g/mol
Exact Mass271.08
IUPAC Name2-(2-pyridin-2-yloxyphenoxy)but-2-enoic acid
SMILESCC=C(Oc1ccccc1Oc1ccccn1)C(=O)O
InChIInChI=1S/C15H13NO4/c1-2-11(15(17)18)19-12-7-3-4-8-13(12)20-14-9-5-6-10-16-14/h2-10H,1H3,(H,17,18)
InChIKeyBUKMAZHHCGSRRA-UHFFFAOYSA-N
XLogP3.24
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-pyridin-2-yloxyphenoxy)but-2-enoic acid?
The IUPAC name of 2-(2-pyridin-2-yloxyphenoxy)but-2-enoic acid (CID 70557926) is 2-(2-pyridin-2-yloxyphenoxy)but-2-enoic acid.
What is the SMILES notation for 2-(2-pyridin-2-yloxyphenoxy)but-2-enoic acid?
The canonical SMILES for 2-(2-pyridin-2-yloxyphenoxy)but-2-enoic acid is CC=C(Oc1ccccc1Oc1ccccn1)C(=O)O.
What is the InChIKey of 2-(2-pyridin-2-yloxyphenoxy)but-2-enoic acid?
The InChIKey is BUKMAZHHCGSRRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO4/c1-2-11(15(17)18)19-12-7-3-4-8-13(12)20-14-9-5-6-10-16-14/h2-10H,1H3,(H,17,18).
What are the key properties of 2-(2-pyridin-2-yloxyphenoxy)but-2-enoic acid?
2-(2-pyridin-2-yloxyphenoxy)but-2-enoic acid has a molecular weight of 271.27 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pyridin-2-yloxyphenoxy)but-2-enoic acid is sourced from PubChem (CID 70557926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).