1-(furan-2-yl)-3-(6-methoxy-3-pyridinyl)propan-2-one

C13H13NO3 — CID 83171564

IUPAC1-(furan-2-yl)-3-(6-methoxy-3-pyridinyl)propan-2-one
SMILESCOc1ccc(CC(=O)Cc2ccco2)cn1
InChIInChI=1S/C13H13NO3/c1-16-13-5-4-10(9-14-13)7-11(15)8-12-3-2-6-17-12/h2-6,9H,7-8H2,1H3
InChIKeyGLGBOZZMEREPAG-UHFFFAOYSA-N
MW231.25 g/mol
LogP2.04
Rot. Bonds5

About 1-(furan-2-yl)-3-(6-methoxy-3-pyridinyl)propan-2-one

1-(furan-2-yl)-3-(6-methoxy-3-pyridinyl)propan-2-one (PubChem CID 83171564) has the molecular formula C13H13NO3 and a molecular weight of 231.25 g/mol. Its IUPAC name is 1-(furan-2-yl)-3-(6-methoxy-3-pyridinyl)propan-2-one.

Molecular Properties

Compound Name1-(furan-2-yl)-3-(6-methoxy-3-pyridinyl)propan-2-one
PubChem CID83171564
Molecular FormulaC13H13NO3
Molecular Weight231.25 g/mol
Exact Mass231.09
IUPAC Name1-(furan-2-yl)-3-(6-methoxy-3-pyridinyl)propan-2-one
SMILESCOc1ccc(CC(=O)Cc2ccco2)cn1
InChIInChI=1S/C13H13NO3/c1-16-13-5-4-10(9-14-13)7-11(15)8-12-3-2-6-17-12/h2-6,9H,7-8H2,1H3
InChIKeyGLGBOZZMEREPAG-UHFFFAOYSA-N
XLogP2.04
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(furan-3-yl)-3-(6-methoxy-3-pyridinyl)propan-2-one
CID 83171563
1-(furan-2-yl)-3-(4-methylphenyl)propan-2-one
CID 83172579
1-(6-methoxy-3-pyridinyl)propan-2-one
CID 19760371
4-ethyl-1-(6-methoxy-3-pyridinyl)hexan-2-one
CID 82920700
1-(4-fluoro-2-methylphenyl)-3-(6-methoxy-3-pyridinyl)propan-2-one
CID 114347314
1-(4-chlorophenyl)-3-(furan-2-yl)propan-2-one
CID 83172819
1-(3,4-dichlorophenyl)-3-(furan-2-yl)propan-2-one
CID 83172334
ethyl 2-(6-methoxy-3-pyridinyl)acetate
CID 131699443
2-(furan-2-yl)-1-(6-methoxypyrimidin-4-yl)ethanone
CID 102949979
N-ethyl-1-(furan-2-yl)-3-(6-methoxy-3-pyridinyl)propan-2-amine
CID 83182860
N-benzyl-N-(furan-2-ylmethyl)-6-methoxypyridine-3-carboxamide
CID 34907486
1-(1-benzofuran-2-yl)-2-(6-methoxy-3-pyridinyl)ethanone
CID 114725771

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-3-(6-methoxy-3-pyridinyl)propan-2-one?
The IUPAC name of 1-(furan-2-yl)-3-(6-methoxy-3-pyridinyl)propan-2-one (CID 83171564) is 1-(furan-2-yl)-3-(6-methoxy-3-pyridinyl)propan-2-one.
What is the SMILES notation for 1-(furan-2-yl)-3-(6-methoxy-3-pyridinyl)propan-2-one?
The canonical SMILES for 1-(furan-2-yl)-3-(6-methoxy-3-pyridinyl)propan-2-one is COc1ccc(CC(=O)Cc2ccco2)cn1.
What is the InChIKey of 1-(furan-2-yl)-3-(6-methoxy-3-pyridinyl)propan-2-one?
The InChIKey is GLGBOZZMEREPAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3/c1-16-13-5-4-10(9-14-13)7-11(15)8-12-3-2-6-17-12/h2-6,9H,7-8H2,1H3.
What are the key properties of 1-(furan-2-yl)-3-(6-methoxy-3-pyridinyl)propan-2-one?
1-(furan-2-yl)-3-(6-methoxy-3-pyridinyl)propan-2-one has a molecular weight of 231.25 g/mol, XLogP of 2.04, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-3-(6-methoxy-3-pyridinyl)propan-2-one is sourced from PubChem (CID 83171564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).