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

C14H9NO2 — CID 666159

IUPAC3-hydroxy-2-pyridin-4-ylinden-1-one
SMILESO=C1C(c2ccncc2)=C(O)c2ccccc21
InChIInChI=1S/C14H9NO2/c16-13-10-3-1-2-4-11(10)14(17)12(13)9-5-7-15-8-6-9/h1-8,16H
InChIKeyJUTDMVMGNNVIOM-UHFFFAOYSA-N
MW223.23 g/mol
LogP2.70
Rot. Bonds1

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

3-hydroxy-2-pyridin-4-ylinden-1-one (PubChem CID 666159) has the molecular formula C14H9NO2 and a molecular weight of 223.23 g/mol. Its IUPAC name is 3-hydroxy-2-pyridin-4-ylinden-1-one.

Molecular Properties

Compound Name3-hydroxy-2-pyridin-4-ylinden-1-one
PubChem CID666159
Molecular FormulaC14H9NO2
Molecular Weight223.23 g/mol
Exact Mass223.06
IUPAC Name3-hydroxy-2-pyridin-4-ylinden-1-one
SMILESO=C1C(c2ccncc2)=C(O)c2ccccc21
InChIInChI=1S/C14H9NO2/c16-13-10-3-1-2-4-11(10)14(17)12(13)9-5-7-15-8-6-9/h1-8,16H
InChIKeyJUTDMVMGNNVIOM-UHFFFAOYSA-N
XLogP2.70
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_C(7)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-pyridin-4-ylinden-1-one?
The IUPAC name of 3-hydroxy-2-pyridin-4-ylinden-1-one (CID 666159) is 3-hydroxy-2-pyridin-4-ylinden-1-one.
What is the SMILES notation for 3-hydroxy-2-pyridin-4-ylinden-1-one?
The canonical SMILES for 3-hydroxy-2-pyridin-4-ylinden-1-one is O=C1C(c2ccncc2)=C(O)c2ccccc21.
What is the InChIKey of 3-hydroxy-2-pyridin-4-ylinden-1-one?
The InChIKey is JUTDMVMGNNVIOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9NO2/c16-13-10-3-1-2-4-11(10)14(17)12(13)9-5-7-15-8-6-9/h1-8,16H.
What are the key properties of 3-hydroxy-2-pyridin-4-ylinden-1-one?
3-hydroxy-2-pyridin-4-ylinden-1-one has a molecular weight of 223.23 g/mol, XLogP of 2.70, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-pyridin-4-ylinden-1-one is sourced from PubChem (CID 666159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).