phenacyl pyridine-4-carboxylate

C14H11NO3 — CID 2346313

IUPACphenacyl pyridine-4-carboxylate
SMILESO=C(COC(=O)c1ccncc1)c1ccccc1
InChIInChI=1S/C14H11NO3/c16-13(11-4-2-1-3-5-11)10-18-14(17)12-6-8-15-9-7-12/h1-9H,10H2
InChIKeyVLJKXPUQNREOQD-UHFFFAOYSA-N
MW241.25 g/mol
LogP2.12
Rot. Bonds4

About phenacyl pyridine-4-carboxylate

phenacyl pyridine-4-carboxylate (PubChem CID 2346313) has the molecular formula C14H11NO3 and a molecular weight of 241.25 g/mol. Its IUPAC name is phenacyl pyridine-4-carboxylate.

Molecular Properties

Compound Namephenacyl pyridine-4-carboxylate
PubChem CID2346313
Molecular FormulaC14H11NO3
Molecular Weight241.25 g/mol
Exact Mass241.07
IUPAC Namephenacyl pyridine-4-carboxylate
SMILESO=C(COC(=O)c1ccncc1)c1ccccc1
InChIInChI=1S/C14H11NO3/c16-13(11-4-2-1-3-5-11)10-18-14(17)12-6-8-15-9-7-12/h1-9H,10H2
InChIKeyVLJKXPUQNREOQD-UHFFFAOYSA-N
XLogP2.12
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of phenacyl pyridine-4-carboxylate?
The IUPAC name of phenacyl pyridine-4-carboxylate (CID 2346313) is phenacyl pyridine-4-carboxylate.
What is the SMILES notation for phenacyl pyridine-4-carboxylate?
The canonical SMILES for phenacyl pyridine-4-carboxylate is O=C(COC(=O)c1ccncc1)c1ccccc1.
What is the InChIKey of phenacyl pyridine-4-carboxylate?
The InChIKey is VLJKXPUQNREOQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO3/c16-13(11-4-2-1-3-5-11)10-18-14(17)12-6-8-15-9-7-12/h1-9H,10H2.
What are the key properties of phenacyl pyridine-4-carboxylate?
phenacyl pyridine-4-carboxylate has a molecular weight of 241.25 g/mol, XLogP of 2.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenacyl pyridine-4-carboxylate is sourced from PubChem (CID 2346313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).