phenacyl 2-ethoxypyridine-3-carboxylate

C16H15NO4 — CID 2346574

IUPACphenacyl 2-ethoxypyridine-3-carboxylate
SMILESCCOc1ncccc1C(=O)OCC(=O)c1ccccc1
InChIInChI=1S/C16H15NO4/c1-2-20-15-13(9-6-10-17-15)16(19)21-11-14(18)12-7-4-3-5-8-12/h3-10H,2,11H2,1H3
InChIKeyVNELFEBLRRIIAK-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.52
Rot. Bonds6

About phenacyl 2-ethoxypyridine-3-carboxylate

phenacyl 2-ethoxypyridine-3-carboxylate (PubChem CID 2346574) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is phenacyl 2-ethoxypyridine-3-carboxylate.

Molecular Properties

Compound Namephenacyl 2-ethoxypyridine-3-carboxylate
PubChem CID2346574
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC Namephenacyl 2-ethoxypyridine-3-carboxylate
SMILESCCOc1ncccc1C(=O)OCC(=O)c1ccccc1
InChIInChI=1S/C16H15NO4/c1-2-20-15-13(9-6-10-17-15)16(19)21-11-14(18)12-7-4-3-5-8-12/h3-10H,2,11H2,1H3
InChIKeyVNELFEBLRRIIAK-UHFFFAOYSA-N
XLogP2.52
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-(Trifluoromethyl)phenoxy)-3-pyridinecarboxylic acid
CID 215891
Ronifibrate
CID 68671
3-Pyridinecarboxylic acid, 2-phenoxy-, methyl ester
CID 215890
5H-chromeno(2,3-b)pyridin-5-one
CID 659312
Nicotinic acid, 3-methylphenyl ester
CID 532681
4-Methoxyphenyl nicotinate
CID 532682
2-Phenoxynicotinic acid
CID 123450
4-Methylphenyl pyridine-3-carboxylate
CID 735961
5-(Pyridin-3-yl)furan-2-carbaldehyde
CID 12215260
Phenyl 3-pyridinecarboxylate
CID 77018
3-Acetyl-2-(trifluoromethyl)-4-pyridyl benzoate
CID 723671
Phenyl 2-phenoxynicotinate
CID 2797686

Frequently Asked Questions

What is the IUPAC name of phenacyl 2-ethoxypyridine-3-carboxylate?
The IUPAC name of phenacyl 2-ethoxypyridine-3-carboxylate (CID 2346574) is phenacyl 2-ethoxypyridine-3-carboxylate.
What is the SMILES notation for phenacyl 2-ethoxypyridine-3-carboxylate?
The canonical SMILES for phenacyl 2-ethoxypyridine-3-carboxylate is CCOc1ncccc1C(=O)OCC(=O)c1ccccc1.
What is the InChIKey of phenacyl 2-ethoxypyridine-3-carboxylate?
The InChIKey is VNELFEBLRRIIAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO4/c1-2-20-15-13(9-6-10-17-15)16(19)21-11-14(18)12-7-4-3-5-8-12/h3-10H,2,11H2,1H3.
What are the key properties of phenacyl 2-ethoxypyridine-3-carboxylate?
phenacyl 2-ethoxypyridine-3-carboxylate has a molecular weight of 285.30 g/mol, XLogP of 2.52, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenacyl 2-ethoxypyridine-3-carboxylate is sourced from PubChem (CID 2346574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).