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

C14H13NO2 — CID 3434266

IUPAC(2,6-dimethyl-4-pyridinyl) benzoate
SMILESCc1cc(OC(=O)c2ccccc2)cc(C)n1
InChIInChI=1S/C14H13NO2/c1-10-8-13(9-11(2)15-10)17-14(16)12-6-4-3-5-7-12/h3-9H,1-2H3
InChIKeyFPJKIRUUKDVRDD-UHFFFAOYSA-N
MW227.26 g/mol
LogP2.92
Rot. Bonds2

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

(2,6-dimethyl-4-pyridinyl) benzoate (PubChem CID 3434266) has the molecular formula C14H13NO2 and a molecular weight of 227.26 g/mol. Its IUPAC name is (2,6-dimethyl-4-pyridinyl) benzoate.

Molecular Properties

Compound Name(2,6-dimethyl-4-pyridinyl) benzoate
PubChem CID3434266
Molecular FormulaC14H13NO2
Molecular Weight227.26 g/mol
Exact Mass227.09
IUPAC Name(2,6-dimethyl-4-pyridinyl) benzoate
SMILESCc1cc(OC(=O)c2ccccc2)cc(C)n1
InChIInChI=1S/C14H13NO2/c1-10-8-13(9-11(2)15-10)17-14(16)12-6-4-3-5-7-12/h3-9H,1-2H3
InChIKeyFPJKIRUUKDVRDD-UHFFFAOYSA-N
XLogP2.92
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,6-dimethyl-4-pyridinyl) benzoate?
The IUPAC name of (2,6-dimethyl-4-pyridinyl) benzoate (CID 3434266) is (2,6-dimethyl-4-pyridinyl) benzoate.
What is the SMILES notation for (2,6-dimethyl-4-pyridinyl) benzoate?
The canonical SMILES for (2,6-dimethyl-4-pyridinyl) benzoate is Cc1cc(OC(=O)c2ccccc2)cc(C)n1.
What is the InChIKey of (2,6-dimethyl-4-pyridinyl) benzoate?
The InChIKey is FPJKIRUUKDVRDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2/c1-10-8-13(9-11(2)15-10)17-14(16)12-6-4-3-5-7-12/h3-9H,1-2H3.
What are the key properties of (2,6-dimethyl-4-pyridinyl) benzoate?
(2,6-dimethyl-4-pyridinyl) benzoate has a molecular weight of 227.26 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethyl-4-pyridinyl) benzoate is sourced from PubChem (CID 3434266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).