(2-oxo-1H-pyridin-4-yl) benzoate

C12H9NO3 — CID 14049662

IUPAC(2-oxo-1H-pyridin-4-yl) benzoate
SMILESO=C(Oc1cc[nH]c(=O)c1)c1ccccc1
InChIInChI=1S/C12H9NO3/c14-11-8-10(6-7-13-11)16-12(15)9-4-2-1-3-5-9/h1-8H,(H,13,14)
InChIKeyVTWNRLAJNCIEML-UHFFFAOYSA-N
MW215.21 g/mol
LogP1.59
Rot. Bonds2

About (2-oxo-1H-pyridin-4-yl) benzoate

(2-oxo-1H-pyridin-4-yl) benzoate (PubChem CID 14049662) has the molecular formula C12H9NO3 and a molecular weight of 215.21 g/mol. Its IUPAC name is (2-oxo-1H-pyridin-4-yl) benzoate.

Molecular Properties

Compound Name(2-oxo-1H-pyridin-4-yl) benzoate
PubChem CID14049662
Molecular FormulaC12H9NO3
Molecular Weight215.21 g/mol
Exact Mass215.06
IUPAC Name(2-oxo-1H-pyridin-4-yl) benzoate
SMILESO=C(Oc1cc[nH]c(=O)c1)c1ccccc1
InChIInChI=1S/C12H9NO3/c14-11-8-10(6-7-13-11)16-12(15)9-4-2-1-3-5-9/h1-8H,(H,13,14)
InChIKeyVTWNRLAJNCIEML-UHFFFAOYSA-N
XLogP1.59
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-oxo-1H-pyridin-4-yl) benzoate?
The IUPAC name of (2-oxo-1H-pyridin-4-yl) benzoate (CID 14049662) is (2-oxo-1H-pyridin-4-yl) benzoate.
What is the SMILES notation for (2-oxo-1H-pyridin-4-yl) benzoate?
The canonical SMILES for (2-oxo-1H-pyridin-4-yl) benzoate is O=C(Oc1cc[nH]c(=O)c1)c1ccccc1.
What is the InChIKey of (2-oxo-1H-pyridin-4-yl) benzoate?
The InChIKey is VTWNRLAJNCIEML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO3/c14-11-8-10(6-7-13-11)16-12(15)9-4-2-1-3-5-9/h1-8H,(H,13,14).
What are the key properties of (2-oxo-1H-pyridin-4-yl) benzoate?
(2-oxo-1H-pyridin-4-yl) benzoate has a molecular weight of 215.21 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-1H-pyridin-4-yl) benzoate is sourced from PubChem (CID 14049662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).