1-(5-hydroxy-2-pyridinyl)ethanone;1-(5-phenylmethoxy-2-pyridinyl)ethanone

C21H20N2O4 — CID 162221142

IUPAC1-(5-hydroxy-2-pyridinyl)ethanone;1-(5-phenylmethoxy-2-pyridinyl)ethanone
SMILESCC(=O)c1ccc(O)cn1.CC(=O)c1ccc(OCc2ccccc2)cn1
InChIInChI=1S/C14H13NO2.C7H7NO2/c1-11(16)14-8-7-13(9-15-14)17-10-12-5-3-2-4-6-12;1-5(9)7-3-2-6(10)4-8-7/h2-9H,10H2,1H3;2-4,10H,1H3
InChIKeyZUDDILICABXACW-UHFFFAOYSA-N
MW364.40 g/mol
LogP3.85
Rot. Bonds5

About 1-(5-hydroxy-2-pyridinyl)ethanone;1-(5-phenylmethoxy-2-pyridinyl)ethanone

1-(5-hydroxy-2-pyridinyl)ethanone;1-(5-phenylmethoxy-2-pyridinyl)ethanone (PubChem CID 162221142) has the molecular formula C21H20N2O4 and a molecular weight of 364.40 g/mol. Its IUPAC name is 1-(5-hydroxy-2-pyridinyl)ethanone;1-(5-phenylmethoxy-2-pyridinyl)ethanone.

Molecular Properties

Compound Name1-(5-hydroxy-2-pyridinyl)ethanone;1-(5-phenylmethoxy-2-pyridinyl)ethanone
PubChem CID162221142
Molecular FormulaC21H20N2O4
Molecular Weight364.40 g/mol
Exact Mass364.14
IUPAC Name1-(5-hydroxy-2-pyridinyl)ethanone;1-(5-phenylmethoxy-2-pyridinyl)ethanone
SMILESCC(=O)c1ccc(O)cn1.CC(=O)c1ccc(OCc2ccccc2)cn1
InChIInChI=1S/C14H13NO2.C7H7NO2/c1-11(16)14-8-7-13(9-15-14)17-10-12-5-3-2-4-6-12;1-5(9)7-3-2-6(10)4-8-7/h2-9H,10H2,1H3;2-4,10H,1H3
InChIKeyZUDDILICABXACW-UHFFFAOYSA-N
XLogP3.85
TPSA89.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[5-(3-phenylpropoxy)-2-pyridinyl]ethanone
CID 83119690
ethyl 5-phenylmethoxypyridine-2-carboxylate
CID 66626531
1-(4-phenylmethoxy-2-pyridinyl)ethanone
CID 151357228
1-[5-(furan-2-ylmethoxy)-2-pyridinyl]ethanone
CID 83120059
1-[5-(4-aminobutoxy)-2-pyridinyl]ethanone
CID 142409466
(E)-3-(5-phenylmethoxy-2-pyridinyl)prop-2-enoic acid
CID 129315372
3-(5-phenylmethoxy-2-pyridinyl)prop-2-enoic acid
CID 79800407
5-(2-phenoxyethoxy)pyridine-2-carboxylic acid
CID 79794959
ethyl propanoate;4-[(5-phenylmethoxy-2-pyridinyl)oxy]phenol
CID 167499413
1-[5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-pyridinyl]ethanone
CID 112587862
1-[5-(4-aminobutoxy)-2-pyridinyl]ethanone;ethane
CID 142409465
1-(5-but-3-ynoxy-2-pyridinyl)ethanone
CID 106795026

Frequently Asked Questions

What is the IUPAC name of 1-(5-hydroxy-2-pyridinyl)ethanone;1-(5-phenylmethoxy-2-pyridinyl)ethanone?
The IUPAC name of 1-(5-hydroxy-2-pyridinyl)ethanone;1-(5-phenylmethoxy-2-pyridinyl)ethanone (CID 162221142) is 1-(5-hydroxy-2-pyridinyl)ethanone;1-(5-phenylmethoxy-2-pyridinyl)ethanone.
What is the SMILES notation for 1-(5-hydroxy-2-pyridinyl)ethanone;1-(5-phenylmethoxy-2-pyridinyl)ethanone?
The canonical SMILES for 1-(5-hydroxy-2-pyridinyl)ethanone;1-(5-phenylmethoxy-2-pyridinyl)ethanone is CC(=O)c1ccc(O)cn1.CC(=O)c1ccc(OCc2ccccc2)cn1.
What is the InChIKey of 1-(5-hydroxy-2-pyridinyl)ethanone;1-(5-phenylmethoxy-2-pyridinyl)ethanone?
The InChIKey is ZUDDILICABXACW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2.C7H7NO2/c1-11(16)14-8-7-13(9-15-14)17-10-12-5-3-2-4-6-12;1-5(9)7-3-2-6(10)4-8-7/h2-9H,10H2,1H3;2-4,10H,1H3.
What are the key properties of 1-(5-hydroxy-2-pyridinyl)ethanone;1-(5-phenylmethoxy-2-pyridinyl)ethanone?
1-(5-hydroxy-2-pyridinyl)ethanone;1-(5-phenylmethoxy-2-pyridinyl)ethanone has a molecular weight of 364.40 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-hydroxy-2-pyridinyl)ethanone;1-(5-phenylmethoxy-2-pyridinyl)ethanone is sourced from PubChem (CID 162221142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).