4-pyridin-2-ylxanthen-9-one

C18H11NO2 — CID 167260109

IUPAC4-pyridin-2-ylxanthen-9-one
SMILESO=c1c2ccccc2oc2c(-c3ccccn3)cccc12
InChIInChI=1S/C18H11NO2/c20-17-13-6-1-2-10-16(13)21-18-12(7-5-8-14(17)18)15-9-3-4-11-19-15/h1-11H
InChIKeyPSAOZCAXOJWGQO-UHFFFAOYSA-N
MW273.29 g/mol
LogP4.01
Rot. Bonds1

About 4-pyridin-2-ylxanthen-9-one

4-pyridin-2-ylxanthen-9-one (PubChem CID 167260109) has the molecular formula C18H11NO2 and a molecular weight of 273.29 g/mol. Its IUPAC name is 4-pyridin-2-ylxanthen-9-one.

Molecular Properties

Compound Name4-pyridin-2-ylxanthen-9-one
PubChem CID167260109
Molecular FormulaC18H11NO2
Molecular Weight273.29 g/mol
Exact Mass273.08
IUPAC Name4-pyridin-2-ylxanthen-9-one
SMILESO=c1c2ccccc2oc2c(-c3ccccn3)cccc12
InChIInChI=1S/C18H11NO2/c20-17-13-6-1-2-10-16(13)21-18-12(7-5-8-14(17)18)15-9-3-4-11-19-15/h1-11H
InChIKeyPSAOZCAXOJWGQO-UHFFFAOYSA-N
XLogP4.01
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-pyridin-2-ylxanthen-9-one?
The IUPAC name of 4-pyridin-2-ylxanthen-9-one (CID 167260109) is 4-pyridin-2-ylxanthen-9-one.
What is the SMILES notation for 4-pyridin-2-ylxanthen-9-one?
The canonical SMILES for 4-pyridin-2-ylxanthen-9-one is O=c1c2ccccc2oc2c(-c3ccccn3)cccc12.
What is the InChIKey of 4-pyridin-2-ylxanthen-9-one?
The InChIKey is PSAOZCAXOJWGQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11NO2/c20-17-13-6-1-2-10-16(13)21-18-12(7-5-8-14(17)18)15-9-3-4-11-19-15/h1-11H.
What are the key properties of 4-pyridin-2-ylxanthen-9-one?
4-pyridin-2-ylxanthen-9-one has a molecular weight of 273.29 g/mol, XLogP of 4.01, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-2-ylxanthen-9-one is sourced from PubChem (CID 167260109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).