ethyl 7-cyano-5-pyridin-3-yloxyheptanoate

C15H20N2O3 — CID 14986715

IUPACethyl 7-cyano-5-pyridin-3-yloxyheptanoate
SMILESCCOC(=O)CCCC(CCC#N)Oc1cccnc1
InChIInChI=1S/C15H20N2O3/c1-2-19-15(18)9-3-6-13(7-4-10-16)20-14-8-5-11-17-12-14/h5,8,11-13H,2-4,6-7,9H2,1H3
InChIKeyQVCJVJFOCKUZQK-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.87
Rot. Bonds9

About ethyl 7-cyano-5-pyridin-3-yloxyheptanoate

ethyl 7-cyano-5-pyridin-3-yloxyheptanoate (PubChem CID 14986715) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is ethyl 7-cyano-5-pyridin-3-yloxyheptanoate.

Molecular Properties

Compound Nameethyl 7-cyano-5-pyridin-3-yloxyheptanoate
PubChem CID14986715
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Nameethyl 7-cyano-5-pyridin-3-yloxyheptanoate
SMILESCCOC(=O)CCCC(CCC#N)Oc1cccnc1
InChIInChI=1S/C15H20N2O3/c1-2-19-15(18)9-3-6-13(7-4-10-16)20-14-8-5-11-17-12-14/h5,8,11-13H,2-4,6-7,9H2,1H3
InChIKeyQVCJVJFOCKUZQK-UHFFFAOYSA-N
XLogP2.87
TPSA72.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 7-cyano-5-pyridin-3-yloxyheptanoate?
The IUPAC name of ethyl 7-cyano-5-pyridin-3-yloxyheptanoate (CID 14986715) is ethyl 7-cyano-5-pyridin-3-yloxyheptanoate.
What is the SMILES notation for ethyl 7-cyano-5-pyridin-3-yloxyheptanoate?
The canonical SMILES for ethyl 7-cyano-5-pyridin-3-yloxyheptanoate is CCOC(=O)CCCC(CCC#N)Oc1cccnc1.
What is the InChIKey of ethyl 7-cyano-5-pyridin-3-yloxyheptanoate?
The InChIKey is QVCJVJFOCKUZQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-2-19-15(18)9-3-6-13(7-4-10-16)20-14-8-5-11-17-12-14/h5,8,11-13H,2-4,6-7,9H2,1H3.
What are the key properties of ethyl 7-cyano-5-pyridin-3-yloxyheptanoate?
ethyl 7-cyano-5-pyridin-3-yloxyheptanoate has a molecular weight of 276.34 g/mol, XLogP of 2.87, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-cyano-5-pyridin-3-yloxyheptanoate is sourced from PubChem (CID 14986715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).