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

C13H11NO4 — CID 83650238

IUPAC5-(3-methoxyphenoxy)pyridine-2-carboxylic acid
SMILESCOc1cccc(Oc2ccc(C(=O)O)nc2)c1
InChIInChI=1S/C13H11NO4/c1-17-9-3-2-4-10(7-9)18-11-5-6-12(13(15)16)14-8-11/h2-8H,1H3,(H,15,16)
InChIKeyZSPBVLSGNOMGHJ-UHFFFAOYSA-N
MW245.23 g/mol
LogP2.58
Rot. Bonds4

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

5-(3-methoxyphenoxy)pyridine-2-carboxylic acid (PubChem CID 83650238) has the molecular formula C13H11NO4 and a molecular weight of 245.23 g/mol. Its IUPAC name is 5-(3-methoxyphenoxy)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-(3-methoxyphenoxy)pyridine-2-carboxylic acid
PubChem CID83650238
Molecular FormulaC13H11NO4
Molecular Weight245.23 g/mol
Exact Mass245.07
IUPAC Name5-(3-methoxyphenoxy)pyridine-2-carboxylic acid
SMILESCOc1cccc(Oc2ccc(C(=O)O)nc2)c1
InChIInChI=1S/C13H11NO4/c1-17-9-3-2-4-10(7-9)18-11-5-6-12(13(15)16)14-8-11/h2-8H,1H3,(H,15,16)
InChIKeyZSPBVLSGNOMGHJ-UHFFFAOYSA-N
XLogP2.58
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.23
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxyphenoxy)pyridine-2-carboxylic acid?
The IUPAC name of 5-(3-methoxyphenoxy)pyridine-2-carboxylic acid (CID 83650238) is 5-(3-methoxyphenoxy)pyridine-2-carboxylic acid.
What is the SMILES notation for 5-(3-methoxyphenoxy)pyridine-2-carboxylic acid?
The canonical SMILES for 5-(3-methoxyphenoxy)pyridine-2-carboxylic acid is COc1cccc(Oc2ccc(C(=O)O)nc2)c1.
What is the InChIKey of 5-(3-methoxyphenoxy)pyridine-2-carboxylic acid?
The InChIKey is ZSPBVLSGNOMGHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO4/c1-17-9-3-2-4-10(7-9)18-11-5-6-12(13(15)16)14-8-11/h2-8H,1H3,(H,15,16).
What are the key properties of 5-(3-methoxyphenoxy)pyridine-2-carboxylic acid?
5-(3-methoxyphenoxy)pyridine-2-carboxylic acid has a molecular weight of 245.23 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxyphenoxy)pyridine-2-carboxylic acid is sourced from PubChem (CID 83650238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).