(1,2-dimethyl-6-oxo-4-pyridinyl) benzoate

C14H13NO3 — CID 15355390

IUPAC(1,2-dimethyl-6-oxo-4-pyridinyl) benzoate
SMILESCc1cc(OC(=O)c2ccccc2)cc(=O)n1C
InChIInChI=1S/C14H13NO3/c1-10-8-12(9-13(16)15(10)2)18-14(17)11-6-4-3-5-7-11/h3-9H,1-2H3
InChIKeyWEWCMPLGFQGHJG-UHFFFAOYSA-N
MW243.26 g/mol
LogP1.91
Rot. Bonds2

About (1,2-dimethyl-6-oxo-4-pyridinyl) benzoate

(1,2-dimethyl-6-oxo-4-pyridinyl) benzoate (PubChem CID 15355390) has the molecular formula C14H13NO3 and a molecular weight of 243.26 g/mol. Its IUPAC name is (1,2-dimethyl-6-oxo-4-pyridinyl) benzoate.

Molecular Properties

Compound Name(1,2-dimethyl-6-oxo-4-pyridinyl) benzoate
PubChem CID15355390
Molecular FormulaC14H13NO3
Molecular Weight243.26 g/mol
Exact Mass243.09
IUPAC Name(1,2-dimethyl-6-oxo-4-pyridinyl) benzoate
SMILESCc1cc(OC(=O)c2ccccc2)cc(=O)n1C
InChIInChI=1S/C14H13NO3/c1-10-8-12(9-13(16)15(10)2)18-14(17)11-6-4-3-5-7-11/h3-9H,1-2H3
InChIKeyWEWCMPLGFQGHJG-UHFFFAOYSA-N
XLogP1.91
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1,2-dimethyl-6-oxo-4-pyridinyl) benzoate?
The IUPAC name of (1,2-dimethyl-6-oxo-4-pyridinyl) benzoate (CID 15355390) is (1,2-dimethyl-6-oxo-4-pyridinyl) benzoate.
What is the SMILES notation for (1,2-dimethyl-6-oxo-4-pyridinyl) benzoate?
The canonical SMILES for (1,2-dimethyl-6-oxo-4-pyridinyl) benzoate is Cc1cc(OC(=O)c2ccccc2)cc(=O)n1C.
What is the InChIKey of (1,2-dimethyl-6-oxo-4-pyridinyl) benzoate?
The InChIKey is WEWCMPLGFQGHJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3/c1-10-8-12(9-13(16)15(10)2)18-14(17)11-6-4-3-5-7-11/h3-9H,1-2H3.
What are the key properties of (1,2-dimethyl-6-oxo-4-pyridinyl) benzoate?
(1,2-dimethyl-6-oxo-4-pyridinyl) benzoate has a molecular weight of 243.26 g/mol, XLogP of 1.91, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,2-dimethyl-6-oxo-4-pyridinyl) benzoate is sourced from PubChem (CID 15355390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).