methyl 2-[(6-methyl-2-pyridinyl)methoxy]benzoate

C15H15NO3 — CID 658483

IUPACmethyl 2-[(6-methyl-2-pyridinyl)methoxy]benzoate
SMILESCOC(=O)c1ccccc1OCc1cccc(C)n1
InChIInChI=1S/C15H15NO3/c1-11-6-5-7-12(16-11)10-19-14-9-4-3-8-13(14)15(17)18-2/h3-9H,10H2,1-2H3
InChIKeyCWXHRWMUABNWKO-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.76
Rot. Bonds4

About methyl 2-[(6-methyl-2-pyridinyl)methoxy]benzoate

methyl 2-[(6-methyl-2-pyridinyl)methoxy]benzoate (PubChem CID 658483) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is methyl 2-[(6-methyl-2-pyridinyl)methoxy]benzoate.

Molecular Properties

Compound Namemethyl 2-[(6-methyl-2-pyridinyl)methoxy]benzoate
PubChem CID658483
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Namemethyl 2-[(6-methyl-2-pyridinyl)methoxy]benzoate
SMILESCOC(=O)c1ccccc1OCc1cccc(C)n1
InChIInChI=1S/C15H15NO3/c1-11-6-5-7-12(16-11)10-19-14-9-4-3-8-13(14)15(17)18-2/h3-9H,10H2,1-2H3
InChIKeyCWXHRWMUABNWKO-UHFFFAOYSA-N
XLogP2.76
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(6-methyl-2-pyridinyl)methoxy]benzoate?
The IUPAC name of methyl 2-[(6-methyl-2-pyridinyl)methoxy]benzoate (CID 658483) is methyl 2-[(6-methyl-2-pyridinyl)methoxy]benzoate.
What is the SMILES notation for methyl 2-[(6-methyl-2-pyridinyl)methoxy]benzoate?
The canonical SMILES for methyl 2-[(6-methyl-2-pyridinyl)methoxy]benzoate is COC(=O)c1ccccc1OCc1cccc(C)n1.
What is the InChIKey of methyl 2-[(6-methyl-2-pyridinyl)methoxy]benzoate?
The InChIKey is CWXHRWMUABNWKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c1-11-6-5-7-12(16-11)10-19-14-9-4-3-8-13(14)15(17)18-2/h3-9H,10H2,1-2H3.
What are the key properties of methyl 2-[(6-methyl-2-pyridinyl)methoxy]benzoate?
methyl 2-[(6-methyl-2-pyridinyl)methoxy]benzoate has a molecular weight of 257.29 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(6-methyl-2-pyridinyl)methoxy]benzoate is sourced from PubChem (CID 658483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).