methyl 4-(6-methoxy-3-pyridinyl)-2-methylbenzoate

C15H15NO3 — CID 18617593

IUPACmethyl 4-(6-methoxy-3-pyridinyl)-2-methylbenzoate
SMILESCOC(=O)c1ccc(-c2ccc(OC)nc2)cc1C
InChIInChI=1S/C15H15NO3/c1-10-8-11(4-6-13(10)15(17)19-3)12-5-7-14(18-2)16-9-12/h4-9H,1-3H3
InChIKeyQGWZUSJDKNEEFZ-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.85
Rot. Bonds3

About methyl 4-(6-methoxy-3-pyridinyl)-2-methylbenzoate

methyl 4-(6-methoxy-3-pyridinyl)-2-methylbenzoate (PubChem CID 18617593) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is methyl 4-(6-methoxy-3-pyridinyl)-2-methylbenzoate.

Molecular Properties

Compound Namemethyl 4-(6-methoxy-3-pyridinyl)-2-methylbenzoate
PubChem CID18617593
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Namemethyl 4-(6-methoxy-3-pyridinyl)-2-methylbenzoate
SMILESCOC(=O)c1ccc(-c2ccc(OC)nc2)cc1C
InChIInChI=1S/C15H15NO3/c1-10-8-11(4-6-13(10)15(17)19-3)12-5-7-14(18-2)16-9-12/h4-9H,1-3H3
InChIKeyQGWZUSJDKNEEFZ-UHFFFAOYSA-N
XLogP2.85
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(6-methoxy-3-pyridinyl)-2-methylbenzoate?
The IUPAC name of methyl 4-(6-methoxy-3-pyridinyl)-2-methylbenzoate (CID 18617593) is methyl 4-(6-methoxy-3-pyridinyl)-2-methylbenzoate.
What is the SMILES notation for methyl 4-(6-methoxy-3-pyridinyl)-2-methylbenzoate?
The canonical SMILES for methyl 4-(6-methoxy-3-pyridinyl)-2-methylbenzoate is COC(=O)c1ccc(-c2ccc(OC)nc2)cc1C.
What is the InChIKey of methyl 4-(6-methoxy-3-pyridinyl)-2-methylbenzoate?
The InChIKey is QGWZUSJDKNEEFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c1-10-8-11(4-6-13(10)15(17)19-3)12-5-7-14(18-2)16-9-12/h4-9H,1-3H3.
What are the key properties of methyl 4-(6-methoxy-3-pyridinyl)-2-methylbenzoate?
methyl 4-(6-methoxy-3-pyridinyl)-2-methylbenzoate has a molecular weight of 257.29 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(6-methoxy-3-pyridinyl)-2-methylbenzoate is sourced from PubChem (CID 18617593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).