(6-methyl-3-pyridinyl) 3,4-dimethylbenzoate

C15H15NO2 — CID 3242485

IUPAC(6-methyl-3-pyridinyl) 3,4-dimethylbenzoate
SMILESCc1ccc(OC(=O)c2ccc(C)c(C)c2)cn1
InChIInChI=1S/C15H15NO2/c1-10-4-6-13(8-11(10)2)15(17)18-14-7-5-12(3)16-9-14/h4-9H,1-3H3
InChIKeyHDRSXOPTXZMKCM-UHFFFAOYSA-N
MW241.29 g/mol
LogP3.23
Rot. Bonds2

About (6-methyl-3-pyridinyl) 3,4-dimethylbenzoate

(6-methyl-3-pyridinyl) 3,4-dimethylbenzoate (PubChem CID 3242485) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is (6-methyl-3-pyridinyl) 3,4-dimethylbenzoate.

Molecular Properties

Compound Name(6-methyl-3-pyridinyl) 3,4-dimethylbenzoate
PubChem CID3242485
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Name(6-methyl-3-pyridinyl) 3,4-dimethylbenzoate
SMILESCc1ccc(OC(=O)c2ccc(C)c(C)c2)cn1
InChIInChI=1S/C15H15NO2/c1-10-4-6-13(8-11(10)2)15(17)18-14-7-5-12(3)16-9-14/h4-9H,1-3H3
InChIKeyHDRSXOPTXZMKCM-UHFFFAOYSA-N
XLogP3.23
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6-methyl-3-pyridinyl) 3,4-dimethylbenzoate?
The IUPAC name of (6-methyl-3-pyridinyl) 3,4-dimethylbenzoate (CID 3242485) is (6-methyl-3-pyridinyl) 3,4-dimethylbenzoate.
What is the SMILES notation for (6-methyl-3-pyridinyl) 3,4-dimethylbenzoate?
The canonical SMILES for (6-methyl-3-pyridinyl) 3,4-dimethylbenzoate is Cc1ccc(OC(=O)c2ccc(C)c(C)c2)cn1.
What is the InChIKey of (6-methyl-3-pyridinyl) 3,4-dimethylbenzoate?
The InChIKey is HDRSXOPTXZMKCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2/c1-10-4-6-13(8-11(10)2)15(17)18-14-7-5-12(3)16-9-14/h4-9H,1-3H3.
What are the key properties of (6-methyl-3-pyridinyl) 3,4-dimethylbenzoate?
(6-methyl-3-pyridinyl) 3,4-dimethylbenzoate has a molecular weight of 241.29 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-3-pyridinyl) 3,4-dimethylbenzoate is sourced from PubChem (CID 3242485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).