1-[5-(furan-2-ylmethoxy)-2-pyridinyl]ethanone

C12H11NO3 — CID 83120059

IUPAC1-[5-(furan-2-ylmethoxy)-2-pyridinyl]ethanone
SMILESCC(=O)c1ccc(OCc2ccco2)cn1
InChIInChI=1S/C12H11NO3/c1-9(14)12-5-4-10(7-13-12)16-8-11-3-2-6-15-11/h2-7H,8H2,1H3
InChIKeyXRVNGQMTGYGASO-UHFFFAOYSA-N
MW217.22 g/mol
LogP2.46
Rot. Bonds4

About 1-[5-(furan-2-ylmethoxy)-2-pyridinyl]ethanone

1-[5-(furan-2-ylmethoxy)-2-pyridinyl]ethanone (PubChem CID 83120059) has the molecular formula C12H11NO3 and a molecular weight of 217.22 g/mol. Its IUPAC name is 1-[5-(furan-2-ylmethoxy)-2-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[5-(furan-2-ylmethoxy)-2-pyridinyl]ethanone
PubChem CID83120059
Molecular FormulaC12H11NO3
Molecular Weight217.22 g/mol
Exact Mass217.07
IUPAC Name1-[5-(furan-2-ylmethoxy)-2-pyridinyl]ethanone
SMILESCC(=O)c1ccc(OCc2ccco2)cn1
InChIInChI=1S/C12H11NO3/c1-9(14)12-5-4-10(7-13-12)16-8-11-3-2-6-15-11/h2-7H,8H2,1H3
InChIKeyXRVNGQMTGYGASO-UHFFFAOYSA-N
XLogP2.46
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-hydroxy-2-pyridinyl)ethanone;1-(5-phenylmethoxy-2-pyridinyl)ethanone
CID 162221142
(1R)-1-[5-(furan-2-ylmethoxy)-2-pyridinyl]ethanamine
CID 83128074
4-(furan-2-ylmethoxy)-1-methylpyrazole
CID 116794087
1-[5-(2-thiophen-2-ylethoxy)-2-pyridinyl]ethanone
CID 83119183
1-[5-(furan-2-ylmethoxy)-2-nitrophenyl]ethanone
CID 104613742
1-[5-(3-phenylpropoxy)-2-pyridinyl]ethanone
CID 83119690
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
2-[(4-iodophenoxy)methyl]furan
CID 60772612
2-chloro-4-(furan-2-ylmethoxy)benzoic acid
CID 62946408
1-[5-(2-cyclobutylethoxy)-2-pyridinyl]ethanone
CID 106202175

Frequently Asked Questions

What is the IUPAC name of 1-[5-(furan-2-ylmethoxy)-2-pyridinyl]ethanone?
The IUPAC name of 1-[5-(furan-2-ylmethoxy)-2-pyridinyl]ethanone (CID 83120059) is 1-[5-(furan-2-ylmethoxy)-2-pyridinyl]ethanone.
What is the SMILES notation for 1-[5-(furan-2-ylmethoxy)-2-pyridinyl]ethanone?
The canonical SMILES for 1-[5-(furan-2-ylmethoxy)-2-pyridinyl]ethanone is CC(=O)c1ccc(OCc2ccco2)cn1.
What is the InChIKey of 1-[5-(furan-2-ylmethoxy)-2-pyridinyl]ethanone?
The InChIKey is XRVNGQMTGYGASO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3/c1-9(14)12-5-4-10(7-13-12)16-8-11-3-2-6-15-11/h2-7H,8H2,1H3.
What are the key properties of 1-[5-(furan-2-ylmethoxy)-2-pyridinyl]ethanone?
1-[5-(furan-2-ylmethoxy)-2-pyridinyl]ethanone has a molecular weight of 217.22 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(furan-2-ylmethoxy)-2-pyridinyl]ethanone is sourced from PubChem (CID 83120059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).