(4-methoxyphenyl) pyridine-3-carboxylate

C13H11NO3 — CID 532682

IUPAC(4-methoxyphenyl) pyridine-3-carboxylate
SMILESCOc1ccc(OC(=O)c2cccnc2)cc1
InChIInChI=1S/C13H11NO3/c1-16-11-4-6-12(7-5-11)17-13(15)10-3-2-8-14-9-10/h2-9H,1H3
InChIKeyYKRYFWGYMGFVCO-UHFFFAOYSA-N
MW229.23 g/mol
LogP2.31
Rot. Bonds3

About (4-methoxyphenyl) pyridine-3-carboxylate

(4-methoxyphenyl) pyridine-3-carboxylate (PubChem CID 532682) has the molecular formula C13H11NO3 and a molecular weight of 229.23 g/mol. Its IUPAC name is (4-methoxyphenyl) pyridine-3-carboxylate.

Molecular Properties

Compound Name(4-methoxyphenyl) pyridine-3-carboxylate
PubChem CID532682
Molecular FormulaC13H11NO3
Molecular Weight229.23 g/mol
Exact Mass229.07
IUPAC Name(4-methoxyphenyl) pyridine-3-carboxylate
SMILESCOc1ccc(OC(=O)c2cccnc2)cc1
InChIInChI=1S/C13H11NO3/c1-16-11-4-6-12(7-5-11)17-13(15)10-3-2-8-14-9-10/h2-9H,1H3
InChIKeyYKRYFWGYMGFVCO-UHFFFAOYSA-N
XLogP2.31
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl) pyridine-3-carboxylate?
The IUPAC name of (4-methoxyphenyl) pyridine-3-carboxylate (CID 532682) is (4-methoxyphenyl) pyridine-3-carboxylate.
What is the SMILES notation for (4-methoxyphenyl) pyridine-3-carboxylate?
The canonical SMILES for (4-methoxyphenyl) pyridine-3-carboxylate is COc1ccc(OC(=O)c2cccnc2)cc1.
What is the InChIKey of (4-methoxyphenyl) pyridine-3-carboxylate?
The InChIKey is YKRYFWGYMGFVCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO3/c1-16-11-4-6-12(7-5-11)17-13(15)10-3-2-8-14-9-10/h2-9H,1H3.
What are the key properties of (4-methoxyphenyl) pyridine-3-carboxylate?
(4-methoxyphenyl) pyridine-3-carboxylate has a molecular weight of 229.23 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl) pyridine-3-carboxylate is sourced from PubChem (CID 532682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).