5-(4-methylphenoxy)pyridine-2-carboxylic acid

C13H11NO3 — CID 3055222

IUPAC5-(4-methylphenoxy)pyridine-2-carboxylic acid
SMILESCc1ccc(Oc2ccc(C(=O)O)nc2)cc1
InChIInChI=1S/C13H11NO3/c1-9-2-4-10(5-3-9)17-11-6-7-12(13(15)16)14-8-11/h2-8H,1H3,(H,15,16)
InChIKeyMEZPFPIEWBDABE-UHFFFAOYSA-N
MW229.23 g/mol
LogP2.88
Rot. Bonds3

About 5-(4-methylphenoxy)pyridine-2-carboxylic acid

5-(4-methylphenoxy)pyridine-2-carboxylic acid (PubChem CID 3055222) has the molecular formula C13H11NO3 and a molecular weight of 229.23 g/mol. Its IUPAC name is 5-(4-methylphenoxy)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-(4-methylphenoxy)pyridine-2-carboxylic acid
PubChem CID3055222
Molecular FormulaC13H11NO3
Molecular Weight229.23 g/mol
Exact Mass229.07
IUPAC Name5-(4-methylphenoxy)pyridine-2-carboxylic acid
SMILESCc1ccc(Oc2ccc(C(=O)O)nc2)cc1
InChIInChI=1S/C13H11NO3/c1-9-2-4-10(5-3-9)17-11-6-7-12(13(15)16)14-8-11/h2-8H,1H3,(H,15,16)
InChIKeyMEZPFPIEWBDABE-UHFFFAOYSA-N
XLogP2.88
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenoxy)pyridine-2-carboxylic acid?
The IUPAC name of 5-(4-methylphenoxy)pyridine-2-carboxylic acid (CID 3055222) is 5-(4-methylphenoxy)pyridine-2-carboxylic acid.
What is the SMILES notation for 5-(4-methylphenoxy)pyridine-2-carboxylic acid?
The canonical SMILES for 5-(4-methylphenoxy)pyridine-2-carboxylic acid is Cc1ccc(Oc2ccc(C(=O)O)nc2)cc1.
What is the InChIKey of 5-(4-methylphenoxy)pyridine-2-carboxylic acid?
The InChIKey is MEZPFPIEWBDABE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO3/c1-9-2-4-10(5-3-9)17-11-6-7-12(13(15)16)14-8-11/h2-8H,1H3,(H,15,16).
What are the key properties of 5-(4-methylphenoxy)pyridine-2-carboxylic acid?
5-(4-methylphenoxy)pyridine-2-carboxylic acid has a molecular weight of 229.23 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenoxy)pyridine-2-carboxylic acid is sourced from PubChem (CID 3055222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).