3-hydroxy-3-pyridin-2-yl-2-benzofuran-1-one

C13H9NO3 — CID 14915521

IUPAC3-hydroxy-3-pyridin-2-yl-2-benzofuran-1-one
SMILESO=C1OC(O)(c2ccccn2)c2ccccc21
InChIInChI=1S/C13H9NO3/c15-12-9-5-1-2-6-10(9)13(16,17-12)11-7-3-4-8-14-11/h1-8,16H
InChIKeyCQQOPDNQKHRFDR-UHFFFAOYSA-N
MW227.22 g/mol
LogP1.45
Rot. Bonds1

About 3-hydroxy-3-pyridin-2-yl-2-benzofuran-1-one

3-hydroxy-3-pyridin-2-yl-2-benzofuran-1-one (PubChem CID 14915521) has the molecular formula C13H9NO3 and a molecular weight of 227.22 g/mol. Its IUPAC name is 3-hydroxy-3-pyridin-2-yl-2-benzofuran-1-one.

Molecular Properties

Compound Name3-hydroxy-3-pyridin-2-yl-2-benzofuran-1-one
PubChem CID14915521
Molecular FormulaC13H9NO3
Molecular Weight227.22 g/mol
Exact Mass227.06
IUPAC Name3-hydroxy-3-pyridin-2-yl-2-benzofuran-1-one
SMILESO=C1OC(O)(c2ccccn2)c2ccccc21
InChIInChI=1S/C13H9NO3/c15-12-9-5-1-2-6-10(9)13(16,17-12)11-7-3-4-8-14-11/h1-8,16H
InChIKeyCQQOPDNQKHRFDR-UHFFFAOYSA-N
XLogP1.45
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-hydroxy-3-phenyl-2-benzofuran-1-one
CID 12677389
3-hydroxy-3-(4-methyl-3-nitrophenyl)-2-benzofuran-1-one
CID 71322707
3,3-bis(trifluoromethyl)-2-benzofuran-1-one
CID 15146487
5,5-dimethyl-3-pyridin-2-yldioxolan-3-ol
CID 15734054
7,7-dimethyl-8H-pyrano[4,3-b]pyridin-5-one
CID 175781475
3-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-3-hydroxy-2-benzofuran-1-one
CID 102111028
2,2-dihydroxyindene-1,3-dione;pyridine
CID 67634501
3-hydroxy-3-(1-hydroxybutyl)-2-benzofuran-1-one
CID 146285906
3-pyridin-2-yl-2H-1,4-benzodioxin-3-ol
CID 2831231
3,4-dihydroxy-2,5-diphenyl-3,4-dipyridin-2-ylcyclopentan-1-one
CID 101031320
2,2,3,3-tetrahydroxyinden-1-one
CID 141431232
3-chloro-3-iodo-2-benzofuran-1-one
CID 121481458

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-pyridin-2-yl-2-benzofuran-1-one?
The IUPAC name of 3-hydroxy-3-pyridin-2-yl-2-benzofuran-1-one (CID 14915521) is 3-hydroxy-3-pyridin-2-yl-2-benzofuran-1-one.
What is the SMILES notation for 3-hydroxy-3-pyridin-2-yl-2-benzofuran-1-one?
The canonical SMILES for 3-hydroxy-3-pyridin-2-yl-2-benzofuran-1-one is O=C1OC(O)(c2ccccn2)c2ccccc21.
What is the InChIKey of 3-hydroxy-3-pyridin-2-yl-2-benzofuran-1-one?
The InChIKey is CQQOPDNQKHRFDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO3/c15-12-9-5-1-2-6-10(9)13(16,17-12)11-7-3-4-8-14-11/h1-8,16H.
What are the key properties of 3-hydroxy-3-pyridin-2-yl-2-benzofuran-1-one?
3-hydroxy-3-pyridin-2-yl-2-benzofuran-1-one has a molecular weight of 227.22 g/mol, XLogP of 1.45, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-pyridin-2-yl-2-benzofuran-1-one is sourced from PubChem (CID 14915521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).