ethyl 6-acetyl-4-phenylmethoxypyridine-2-carboxylate

C17H17NO4 — CID 90294474

IUPACethyl 6-acetyl-4-phenylmethoxypyridine-2-carboxylate
SMILESCCOC(=O)c1cc(OCc2ccccc2)cc(C(C)=O)n1
InChIInChI=1S/C17H17NO4/c1-3-21-17(20)16-10-14(9-15(18-16)12(2)19)22-11-13-7-5-4-6-8-13/h4-10H,3,11H2,1-2H3
InChIKeyMQCSVQJIPQRXBD-UHFFFAOYSA-N
MW299.33 g/mol
LogP3.04
Rot. Bonds6

About ethyl 6-acetyl-4-phenylmethoxypyridine-2-carboxylate

ethyl 6-acetyl-4-phenylmethoxypyridine-2-carboxylate (PubChem CID 90294474) has the molecular formula C17H17NO4 and a molecular weight of 299.33 g/mol. Its IUPAC name is ethyl 6-acetyl-4-phenylmethoxypyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-acetyl-4-phenylmethoxypyridine-2-carboxylate
PubChem CID90294474
Molecular FormulaC17H17NO4
Molecular Weight299.33 g/mol
Exact Mass299.12
IUPAC Nameethyl 6-acetyl-4-phenylmethoxypyridine-2-carboxylate
SMILESCCOC(=O)c1cc(OCc2ccccc2)cc(C(C)=O)n1
InChIInChI=1S/C17H17NO4/c1-3-21-17(20)16-10-14(9-15(18-16)12(2)19)22-11-13-7-5-4-6-8-13/h4-10H,3,11H2,1-2H3
InChIKeyMQCSVQJIPQRXBD-UHFFFAOYSA-N
XLogP3.04
TPSA65.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-phenylmethoxypyridazine-3-carboxylate
CID 137332806
diethyl 5-phenylmethoxybenzene-1,3-dicarboxylate
CID 11393300
ethyl 5-phenylmethoxypyridine-2-carboxylate
CID 66626531
diethyl 4-ethoxypyridine-2,6-dicarboxylate
CID 46708188
1-(4-phenylmethoxy-2-pyridinyl)ethanone
CID 151357228
ethyl 2-acetyl-3-chloro-5-phenylmethoxybenzoate
CID 91863418
ethyl 6-(oxan-2-yloxymethyl)-4-phenylmethoxypyridine-2-carboxylate
CID 66599851
ethyl 4-(4-phenylmethoxybenzoyl)benzoate
CID 58095622
diethyl 2,6-dimethyl-4-(3-phenylmethoxyphenyl)pyridine-3,5-dicarboxylate
CID 19232497
1-(3-methyl-5-phenylmethoxyphenyl)ethanone
CID 67988335
ethyl 2-methoxy-4-phenylmethoxybenzoate
CID 162133718
ethyl 5-(phenylmethoxymethyl)-1H-pyrazole-3-carboxylate
CID 90326274

Frequently Asked Questions

What is the IUPAC name of ethyl 6-acetyl-4-phenylmethoxypyridine-2-carboxylate?
The IUPAC name of ethyl 6-acetyl-4-phenylmethoxypyridine-2-carboxylate (CID 90294474) is ethyl 6-acetyl-4-phenylmethoxypyridine-2-carboxylate.
What is the SMILES notation for ethyl 6-acetyl-4-phenylmethoxypyridine-2-carboxylate?
The canonical SMILES for ethyl 6-acetyl-4-phenylmethoxypyridine-2-carboxylate is CCOC(=O)c1cc(OCc2ccccc2)cc(C(C)=O)n1.
What is the InChIKey of ethyl 6-acetyl-4-phenylmethoxypyridine-2-carboxylate?
The InChIKey is MQCSVQJIPQRXBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO4/c1-3-21-17(20)16-10-14(9-15(18-16)12(2)19)22-11-13-7-5-4-6-8-13/h4-10H,3,11H2,1-2H3.
What are the key properties of ethyl 6-acetyl-4-phenylmethoxypyridine-2-carboxylate?
ethyl 6-acetyl-4-phenylmethoxypyridine-2-carboxylate has a molecular weight of 299.33 g/mol, XLogP of 3.04, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-acetyl-4-phenylmethoxypyridine-2-carboxylate is sourced from PubChem (CID 90294474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).