5-(3-phenoxypropoxy)pyridine-2-carboxylic acid

C15H15NO4 — CID 79793898

IUPAC5-(3-phenoxypropoxy)pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(OCCCOc2ccccc2)cn1
InChIInChI=1S/C15H15NO4/c17-15(18)14-8-7-13(11-16-14)20-10-4-9-19-12-5-2-1-3-6-12/h1-3,5-8,11H,4,9-10H2,(H,17,18)
InChIKeyCPSFAPVQRLTWPA-UHFFFAOYSA-N
MW273.29 g/mol
LogP2.63
Rot. Bonds7

About 5-(3-phenoxypropoxy)pyridine-2-carboxylic acid

5-(3-phenoxypropoxy)pyridine-2-carboxylic acid (PubChem CID 79793898) has the molecular formula C15H15NO4 and a molecular weight of 273.29 g/mol. Its IUPAC name is 5-(3-phenoxypropoxy)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-(3-phenoxypropoxy)pyridine-2-carboxylic acid
PubChem CID79793898
Molecular FormulaC15H15NO4
Molecular Weight273.29 g/mol
Exact Mass273.10
IUPAC Name5-(3-phenoxypropoxy)pyridine-2-carboxylic acid
SMILESO=C(O)c1ccc(OCCCOc2ccccc2)cn1
InChIInChI=1S/C15H15NO4/c17-15(18)14-8-7-13(11-16-14)20-10-4-9-19-12-5-2-1-3-6-12/h1-3,5-8,11H,4,9-10H2,(H,17,18)
InChIKeyCPSFAPVQRLTWPA-UHFFFAOYSA-N
XLogP2.63
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(3-phenoxypropoxy)pyridine-2-carboxylic acid?
The IUPAC name of 5-(3-phenoxypropoxy)pyridine-2-carboxylic acid (CID 79793898) is 5-(3-phenoxypropoxy)pyridine-2-carboxylic acid.
What is the SMILES notation for 5-(3-phenoxypropoxy)pyridine-2-carboxylic acid?
The canonical SMILES for 5-(3-phenoxypropoxy)pyridine-2-carboxylic acid is O=C(O)c1ccc(OCCCOc2ccccc2)cn1.
What is the InChIKey of 5-(3-phenoxypropoxy)pyridine-2-carboxylic acid?
The InChIKey is CPSFAPVQRLTWPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4/c17-15(18)14-8-7-13(11-16-14)20-10-4-9-19-12-5-2-1-3-6-12/h1-3,5-8,11H,4,9-10H2,(H,17,18).
What are the key properties of 5-(3-phenoxypropoxy)pyridine-2-carboxylic acid?
5-(3-phenoxypropoxy)pyridine-2-carboxylic acid has a molecular weight of 273.29 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-phenoxypropoxy)pyridine-2-carboxylic acid is sourced from PubChem (CID 79793898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).