2-(5-ethoxy-3-pyridinyl)-1H-pyridin-4-one

C12H12N2O2 — CID 106520631

IUPAC2-(5-ethoxy-3-pyridinyl)-1H-pyridin-4-one
SMILESCCOc1cncc(-c2cc(=O)cc[nH]2)c1
InChIInChI=1S/C12H12N2O2/c1-2-16-11-5-9(7-13-8-11)12-6-10(15)3-4-14-12/h3-8H,2H2,1H3,(H,14,15)
InChIKeyNLKKLXKLQUKSOV-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.84
Rot. Bonds3

About 2-(5-ethoxy-3-pyridinyl)-1H-pyridin-4-one

2-(5-ethoxy-3-pyridinyl)-1H-pyridin-4-one (PubChem CID 106520631) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 2-(5-ethoxy-3-pyridinyl)-1H-pyridin-4-one.

Molecular Properties

Compound Name2-(5-ethoxy-3-pyridinyl)-1H-pyridin-4-one
PubChem CID106520631
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name2-(5-ethoxy-3-pyridinyl)-1H-pyridin-4-one
SMILESCCOc1cncc(-c2cc(=O)cc[nH]2)c1
InChIInChI=1S/C12H12N2O2/c1-2-16-11-5-9(7-13-8-11)12-6-10(15)3-4-14-12/h3-8H,2H2,1H3,(H,14,15)
InChIKeyNLKKLXKLQUKSOV-UHFFFAOYSA-N
XLogP1.84
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-ethoxy-3-pyridinyl)-1H-pyridin-4-one?
The IUPAC name of 2-(5-ethoxy-3-pyridinyl)-1H-pyridin-4-one (CID 106520631) is 2-(5-ethoxy-3-pyridinyl)-1H-pyridin-4-one.
What is the SMILES notation for 2-(5-ethoxy-3-pyridinyl)-1H-pyridin-4-one?
The canonical SMILES for 2-(5-ethoxy-3-pyridinyl)-1H-pyridin-4-one is CCOc1cncc(-c2cc(=O)cc[nH]2)c1.
What is the InChIKey of 2-(5-ethoxy-3-pyridinyl)-1H-pyridin-4-one?
The InChIKey is NLKKLXKLQUKSOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-2-16-11-5-9(7-13-8-11)12-6-10(15)3-4-14-12/h3-8H,2H2,1H3,(H,14,15).
What are the key properties of 2-(5-ethoxy-3-pyridinyl)-1H-pyridin-4-one?
2-(5-ethoxy-3-pyridinyl)-1H-pyridin-4-one has a molecular weight of 216.24 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethoxy-3-pyridinyl)-1H-pyridin-4-one is sourced from PubChem (CID 106520631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).