4-hydroxy-3-phenyl-2-pyridin-3-ylinden-1-one

C20H13NO2 — CID 141285985

IUPAC4-hydroxy-3-phenyl-2-pyridin-3-ylinden-1-one
SMILESO=C1C(c2cccnc2)=C(c2ccccc2)c2c(O)cccc21
InChIInChI=1S/C20H13NO2/c22-16-10-4-9-15-19(16)17(13-6-2-1-3-7-13)18(20(15)23)14-8-5-11-21-12-14/h1-12,22H
InChIKeyNKEUYUCFVUEXGZ-UHFFFAOYSA-N
MW299.33 g/mol
LogP3.94
Rot. Bonds2

About 4-hydroxy-3-phenyl-2-pyridin-3-ylinden-1-one

4-hydroxy-3-phenyl-2-pyridin-3-ylinden-1-one (PubChem CID 141285985) has the molecular formula C20H13NO2 and a molecular weight of 299.33 g/mol. Its IUPAC name is 4-hydroxy-3-phenyl-2-pyridin-3-ylinden-1-one.

Molecular Properties

Compound Name4-hydroxy-3-phenyl-2-pyridin-3-ylinden-1-one
PubChem CID141285985
Molecular FormulaC20H13NO2
Molecular Weight299.33 g/mol
Exact Mass299.09
IUPAC Name4-hydroxy-3-phenyl-2-pyridin-3-ylinden-1-one
SMILESO=C1C(c2cccnc2)=C(c2ccccc2)c2c(O)cccc21
InChIInChI=1S/C20H13NO2/c22-16-10-4-9-15-19(16)17(13-6-2-1-3-7-13)18(20(15)23)14-8-5-11-21-12-14/h1-12,22H
InChIKeyNKEUYUCFVUEXGZ-UHFFFAOYSA-N
XLogP3.94
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-phenyl-2-pyridin-3-ylinden-1-one?
The IUPAC name of 4-hydroxy-3-phenyl-2-pyridin-3-ylinden-1-one (CID 141285985) is 4-hydroxy-3-phenyl-2-pyridin-3-ylinden-1-one.
What is the SMILES notation for 4-hydroxy-3-phenyl-2-pyridin-3-ylinden-1-one?
The canonical SMILES for 4-hydroxy-3-phenyl-2-pyridin-3-ylinden-1-one is O=C1C(c2cccnc2)=C(c2ccccc2)c2c(O)cccc21.
What is the InChIKey of 4-hydroxy-3-phenyl-2-pyridin-3-ylinden-1-one?
The InChIKey is NKEUYUCFVUEXGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13NO2/c22-16-10-4-9-15-19(16)17(13-6-2-1-3-7-13)18(20(15)23)14-8-5-11-21-12-14/h1-12,22H.
What are the key properties of 4-hydroxy-3-phenyl-2-pyridin-3-ylinden-1-one?
4-hydroxy-3-phenyl-2-pyridin-3-ylinden-1-one has a molecular weight of 299.33 g/mol, XLogP of 3.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-phenyl-2-pyridin-3-ylinden-1-one is sourced from PubChem (CID 141285985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).