1-(furan-2-yl)ethanone;2-methylpyridin-3-ol

C12H13NO3 — CID 159604048

IUPAC1-(furan-2-yl)ethanone;2-methylpyridin-3-ol
SMILESCC(=O)c1ccco1.Cc1ncccc1O
InChIInChI=1S/C6H7NO.C6H6O2/c1-5-6(8)3-2-4-7-5;1-5(7)6-3-2-4-8-6/h2-4,8H,1H3;2-4H,1H3
InChIKeyMLVRWIGSQRAYNY-UHFFFAOYSA-N
MW219.24 g/mol
LogP2.58
Rot. Bonds1

About 1-(furan-2-yl)ethanone;2-methylpyridin-3-ol

1-(furan-2-yl)ethanone;2-methylpyridin-3-ol (PubChem CID 159604048) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is 1-(furan-2-yl)ethanone;2-methylpyridin-3-ol.

Molecular Properties

Compound Name1-(furan-2-yl)ethanone;2-methylpyridin-3-ol
PubChem CID159604048
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC Name1-(furan-2-yl)ethanone;2-methylpyridin-3-ol
SMILESCC(=O)c1ccco1.Cc1ncccc1O
InChIInChI=1S/C6H7NO.C6H6O2/c1-5-6(8)3-2-4-7-5;1-5(7)6-3-2-4-8-6/h2-4,8H,1H3;2-4H,1H3
InChIKeyMLVRWIGSQRAYNY-UHFFFAOYSA-N
XLogP2.58
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)ethanone;2-methylpyridin-3-ol?
The IUPAC name of 1-(furan-2-yl)ethanone;2-methylpyridin-3-ol (CID 159604048) is 1-(furan-2-yl)ethanone;2-methylpyridin-3-ol.
What is the SMILES notation for 1-(furan-2-yl)ethanone;2-methylpyridin-3-ol?
The canonical SMILES for 1-(furan-2-yl)ethanone;2-methylpyridin-3-ol is CC(=O)c1ccco1.Cc1ncccc1O.
What is the InChIKey of 1-(furan-2-yl)ethanone;2-methylpyridin-3-ol?
The InChIKey is MLVRWIGSQRAYNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO.C6H6O2/c1-5-6(8)3-2-4-7-5;1-5(7)6-3-2-4-8-6/h2-4,8H,1H3;2-4H,1H3.
What are the key properties of 1-(furan-2-yl)ethanone;2-methylpyridin-3-ol?
1-(furan-2-yl)ethanone;2-methylpyridin-3-ol has a molecular weight of 219.24 g/mol, XLogP of 2.58, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)ethanone;2-methylpyridin-3-ol is sourced from PubChem (CID 159604048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).