ethyl 3-pyridin-4-ylbenzoate

C14H13NO2 — CID 11356603

IUPACethyl 3-pyridin-4-ylbenzoate
SMILESCCOC(=O)c1cccc(-c2ccncc2)c1
InChIInChI=1S/C14H13NO2/c1-2-17-14(16)13-5-3-4-12(10-13)11-6-8-15-9-7-11/h3-10H,2H2,1H3
InChIKeyJURNESPAKRBWFF-UHFFFAOYSA-N
MW227.26 g/mol
LogP2.93
Rot. Bonds3

About ethyl 3-pyridin-4-ylbenzoate

ethyl 3-pyridin-4-ylbenzoate (PubChem CID 11356603) has the molecular formula C14H13NO2 and a molecular weight of 227.26 g/mol. Its IUPAC name is ethyl 3-pyridin-4-ylbenzoate.

Molecular Properties

Compound Nameethyl 3-pyridin-4-ylbenzoate
PubChem CID11356603
Molecular FormulaC14H13NO2
Molecular Weight227.26 g/mol
Exact Mass227.09
IUPAC Nameethyl 3-pyridin-4-ylbenzoate
SMILESCCOC(=O)c1cccc(-c2ccncc2)c1
InChIInChI=1S/C14H13NO2/c1-2-17-14(16)13-5-3-4-12(10-13)11-6-8-15-9-7-11/h3-10H,2H2,1H3
InChIKeyJURNESPAKRBWFF-UHFFFAOYSA-N
XLogP2.93
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-pyridin-4-ylbenzoate?
The IUPAC name of ethyl 3-pyridin-4-ylbenzoate (CID 11356603) is ethyl 3-pyridin-4-ylbenzoate.
What is the SMILES notation for ethyl 3-pyridin-4-ylbenzoate?
The canonical SMILES for ethyl 3-pyridin-4-ylbenzoate is CCOC(=O)c1cccc(-c2ccncc2)c1.
What is the InChIKey of ethyl 3-pyridin-4-ylbenzoate?
The InChIKey is JURNESPAKRBWFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2/c1-2-17-14(16)13-5-3-4-12(10-13)11-6-8-15-9-7-11/h3-10H,2H2,1H3.
What are the key properties of ethyl 3-pyridin-4-ylbenzoate?
ethyl 3-pyridin-4-ylbenzoate has a molecular weight of 227.26 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-pyridin-4-ylbenzoate is sourced from PubChem (CID 11356603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).