(5-chloro-2-oxo-1H-pyridin-4-yl) 2-phenylacetate

C13H10ClNO3 — CID 14049650

IUPAC(5-chloro-2-oxo-1H-pyridin-4-yl) 2-phenylacetate
SMILESO=C(Cc1ccccc1)Oc1cc(=O)[nH]cc1Cl
InChIInChI=1S/C13H10ClNO3/c14-10-8-15-12(16)7-11(10)18-13(17)6-9-4-2-1-3-5-9/h1-5,7-8H,6H2,(H,15,16)
InChIKeySJRMNIPHFYUFLS-UHFFFAOYSA-N
MW263.68 g/mol
LogP2.18
Rot. Bonds3

About (5-chloro-2-oxo-1H-pyridin-4-yl) 2-phenylacetate

(5-chloro-2-oxo-1H-pyridin-4-yl) 2-phenylacetate (PubChem CID 14049650) has the molecular formula C13H10ClNO3 and a molecular weight of 263.68 g/mol. Its IUPAC name is (5-chloro-2-oxo-1H-pyridin-4-yl) 2-phenylacetate.

Molecular Properties

Compound Name(5-chloro-2-oxo-1H-pyridin-4-yl) 2-phenylacetate
PubChem CID14049650
Molecular FormulaC13H10ClNO3
Molecular Weight263.68 g/mol
Exact Mass263.03
IUPAC Name(5-chloro-2-oxo-1H-pyridin-4-yl) 2-phenylacetate
SMILESO=C(Cc1ccccc1)Oc1cc(=O)[nH]cc1Cl
InChIInChI=1S/C13H10ClNO3/c14-10-8-15-12(16)7-11(10)18-13(17)6-9-4-2-1-3-5-9/h1-5,7-8H,6H2,(H,15,16)
InChIKeySJRMNIPHFYUFLS-UHFFFAOYSA-N
XLogP2.18
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.68
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-oxo-1H-pyridin-4-yl) 2-phenylacetate?
The IUPAC name of (5-chloro-2-oxo-1H-pyridin-4-yl) 2-phenylacetate (CID 14049650) is (5-chloro-2-oxo-1H-pyridin-4-yl) 2-phenylacetate.
What is the SMILES notation for (5-chloro-2-oxo-1H-pyridin-4-yl) 2-phenylacetate?
The canonical SMILES for (5-chloro-2-oxo-1H-pyridin-4-yl) 2-phenylacetate is O=C(Cc1ccccc1)Oc1cc(=O)[nH]cc1Cl.
What is the InChIKey of (5-chloro-2-oxo-1H-pyridin-4-yl) 2-phenylacetate?
The InChIKey is SJRMNIPHFYUFLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClNO3/c14-10-8-15-12(16)7-11(10)18-13(17)6-9-4-2-1-3-5-9/h1-5,7-8H,6H2,(H,15,16).
What are the key properties of (5-chloro-2-oxo-1H-pyridin-4-yl) 2-phenylacetate?
(5-chloro-2-oxo-1H-pyridin-4-yl) 2-phenylacetate has a molecular weight of 263.68 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-oxo-1H-pyridin-4-yl) 2-phenylacetate is sourced from PubChem (CID 14049650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).