methyl 5-methyl-2-pyridin-4-ylbenzoate

C14H13NO2 — CID 86680841

IUPACmethyl 5-methyl-2-pyridin-4-ylbenzoate
SMILESCOC(=O)c1cc(C)ccc1-c1ccncc1
InChIInChI=1S/C14H13NO2/c1-10-3-4-12(11-5-7-15-8-6-11)13(9-10)14(16)17-2/h3-9H,1-2H3
InChIKeyGJXTWMADTUIRAH-UHFFFAOYSA-N
MW227.26 g/mol
LogP2.84
Rot. Bonds2

About methyl 5-methyl-2-pyridin-4-ylbenzoate

methyl 5-methyl-2-pyridin-4-ylbenzoate (PubChem CID 86680841) has the molecular formula C14H13NO2 and a molecular weight of 227.26 g/mol. Its IUPAC name is methyl 5-methyl-2-pyridin-4-ylbenzoate.

Molecular Properties

Compound Namemethyl 5-methyl-2-pyridin-4-ylbenzoate
PubChem CID86680841
Molecular FormulaC14H13NO2
Molecular Weight227.26 g/mol
Exact Mass227.09
IUPAC Namemethyl 5-methyl-2-pyridin-4-ylbenzoate
SMILESCOC(=O)c1cc(C)ccc1-c1ccncc1
InChIInChI=1S/C14H13NO2/c1-10-3-4-12(11-5-7-15-8-6-11)13(9-10)14(16)17-2/h3-9H,1-2H3
InChIKeyGJXTWMADTUIRAH-UHFFFAOYSA-N
XLogP2.84
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 ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 5-methyl-2-pyridin-4-ylbenzoate?
The IUPAC name of methyl 5-methyl-2-pyridin-4-ylbenzoate (CID 86680841) is methyl 5-methyl-2-pyridin-4-ylbenzoate.
What is the SMILES notation for methyl 5-methyl-2-pyridin-4-ylbenzoate?
The canonical SMILES for methyl 5-methyl-2-pyridin-4-ylbenzoate is COC(=O)c1cc(C)ccc1-c1ccncc1.
What is the InChIKey of methyl 5-methyl-2-pyridin-4-ylbenzoate?
The InChIKey is GJXTWMADTUIRAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2/c1-10-3-4-12(11-5-7-15-8-6-11)13(9-10)14(16)17-2/h3-9H,1-2H3.
What are the key properties of methyl 5-methyl-2-pyridin-4-ylbenzoate?
methyl 5-methyl-2-pyridin-4-ylbenzoate has a molecular weight of 227.26 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methyl-2-pyridin-4-ylbenzoate is sourced from PubChem (CID 86680841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).