ethyl 5-phenylmethoxypyridine-2-carboxylate

C15H15NO3 — CID 66626531

IUPACethyl 5-phenylmethoxypyridine-2-carboxylate
SMILESCCOC(=O)c1ccc(OCc2ccccc2)cn1
InChIInChI=1S/C15H15NO3/c1-2-18-15(17)14-9-8-13(10-16-14)19-11-12-6-4-3-5-7-12/h3-10H,2,11H2,1H3
InChIKeyXJADOZDTBKPTJU-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.84
Rot. Bonds5

About ethyl 5-phenylmethoxypyridine-2-carboxylate

ethyl 5-phenylmethoxypyridine-2-carboxylate (PubChem CID 66626531) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is ethyl 5-phenylmethoxypyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-phenylmethoxypyridine-2-carboxylate
PubChem CID66626531
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Nameethyl 5-phenylmethoxypyridine-2-carboxylate
SMILESCCOC(=O)c1ccc(OCc2ccccc2)cn1
InChIInChI=1S/C15H15NO3/c1-2-18-15(17)14-9-8-13(10-16-14)19-11-12-6-4-3-5-7-12/h3-10H,2,11H2,1H3
InChIKeyXJADOZDTBKPTJU-UHFFFAOYSA-N
XLogP2.84
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 5-phenylmethoxypyridazine-3-carboxylate
CID 137332806
1-(5-hydroxy-2-pyridinyl)ethanone;1-(5-phenylmethoxy-2-pyridinyl)ethanone
CID 162221142
ethyl 6-acetyl-4-phenylmethoxypyridine-2-carboxylate
CID 90294474
ethyl (4S,5S)-4-methyl-5-(5-phenylmethoxy-2-pyridinyl)-4,5-dihydro-1,2-oxazole-3-carboxylate
CID 11089094
ethyl 4-(4-phenylmethoxybenzoyl)benzoate
CID 58095622
diethyl 5-phenylmethoxybenzene-1,3-dicarboxylate
CID 11393300
ethyl 5-(5-phenylmethoxy-2-pyridinyl)-1-pyridin-2-ylpyrazole-3-carboxylate
CID 23143493
ethyl propanoate;4-[(5-phenylmethoxy-2-pyridinyl)oxy]phenol
CID 167499413
ethyl 3-(4-phenylmethoxyphenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylate
CID 58628687
benzyl 5-[3-(tert-butylamino)-2-hydroxypropoxy]pyridine-2-carboxylate
CID 15574706
ethyl 2-methoxy-4-phenylmethoxybenzoate
CID 162133718
ethyl 5-fluoropyridine-2-carboxylate
CID 10986675

Frequently Asked Questions

What is the IUPAC name of ethyl 5-phenylmethoxypyridine-2-carboxylate?
The IUPAC name of ethyl 5-phenylmethoxypyridine-2-carboxylate (CID 66626531) is ethyl 5-phenylmethoxypyridine-2-carboxylate.
What is the SMILES notation for ethyl 5-phenylmethoxypyridine-2-carboxylate?
The canonical SMILES for ethyl 5-phenylmethoxypyridine-2-carboxylate is CCOC(=O)c1ccc(OCc2ccccc2)cn1.
What is the InChIKey of ethyl 5-phenylmethoxypyridine-2-carboxylate?
The InChIKey is XJADOZDTBKPTJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c1-2-18-15(17)14-9-8-13(10-16-14)19-11-12-6-4-3-5-7-12/h3-10H,2,11H2,1H3.
What are the key properties of ethyl 5-phenylmethoxypyridine-2-carboxylate?
ethyl 5-phenylmethoxypyridine-2-carboxylate has a molecular weight of 257.29 g/mol, XLogP of 2.84, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-phenylmethoxypyridine-2-carboxylate is sourced from PubChem (CID 66626531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).