methyl 4-pyridin-3-yloxybenzoate

C13H11NO3 — CID 47002921

IUPACmethyl 4-pyridin-3-yloxybenzoate
SMILESCOC(=O)c1ccc(Oc2cccnc2)cc1
InChIInChI=1S/C13H11NO3/c1-16-13(15)10-4-6-11(7-5-10)17-12-3-2-8-14-9-12/h2-9H,1H3
InChIKeyNCGXAKPNWPIEJG-UHFFFAOYSA-N
MW229.23 g/mol
LogP2.66
Rot. Bonds3

About methyl 4-pyridin-3-yloxybenzoate

methyl 4-pyridin-3-yloxybenzoate (PubChem CID 47002921) has the molecular formula C13H11NO3 and a molecular weight of 229.23 g/mol. Its IUPAC name is methyl 4-pyridin-3-yloxybenzoate.

Molecular Properties

Compound Namemethyl 4-pyridin-3-yloxybenzoate
PubChem CID47002921
Molecular FormulaC13H11NO3
Molecular Weight229.23 g/mol
Exact Mass229.07
IUPAC Namemethyl 4-pyridin-3-yloxybenzoate
SMILESCOC(=O)c1ccc(Oc2cccnc2)cc1
InChIInChI=1S/C13H11NO3/c1-16-13(15)10-4-6-11(7-5-10)17-12-3-2-8-14-9-12/h2-9H,1H3
InChIKeyNCGXAKPNWPIEJG-UHFFFAOYSA-N
XLogP2.66
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-pyridin-3-yloxybenzoate?
The IUPAC name of methyl 4-pyridin-3-yloxybenzoate (CID 47002921) is methyl 4-pyridin-3-yloxybenzoate.
What is the SMILES notation for methyl 4-pyridin-3-yloxybenzoate?
The canonical SMILES for methyl 4-pyridin-3-yloxybenzoate is COC(=O)c1ccc(Oc2cccnc2)cc1.
What is the InChIKey of methyl 4-pyridin-3-yloxybenzoate?
The InChIKey is NCGXAKPNWPIEJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO3/c1-16-13(15)10-4-6-11(7-5-10)17-12-3-2-8-14-9-12/h2-9H,1H3.
What are the key properties of methyl 4-pyridin-3-yloxybenzoate?
methyl 4-pyridin-3-yloxybenzoate has a molecular weight of 229.23 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-pyridin-3-yloxybenzoate is sourced from PubChem (CID 47002921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).