3-pyridin-2-ylbenzo[f]chromen-1-one

C18H11NO2 — CID 46232175

IUPAC3-pyridin-2-ylbenzo[f]chromen-1-one
SMILESO=c1cc(-c2ccccn2)oc2ccc3ccccc3c12
InChIInChI=1S/C18H11NO2/c20-15-11-17(14-7-3-4-10-19-14)21-16-9-8-12-5-1-2-6-13(12)18(15)16/h1-11H
InChIKeyZTEHSCMHCBKLIH-UHFFFAOYSA-N
MW273.29 g/mol
LogP4.01
Rot. Bonds1

About 3-pyridin-2-ylbenzo[f]chromen-1-one

3-pyridin-2-ylbenzo[f]chromen-1-one (PubChem CID 46232175) has the molecular formula C18H11NO2 and a molecular weight of 273.29 g/mol. Its IUPAC name is 3-pyridin-2-ylbenzo[f]chromen-1-one.

Molecular Properties

Compound Name3-pyridin-2-ylbenzo[f]chromen-1-one
PubChem CID46232175
Molecular FormulaC18H11NO2
Molecular Weight273.29 g/mol
Exact Mass273.08
IUPAC Name3-pyridin-2-ylbenzo[f]chromen-1-one
SMILESO=c1cc(-c2ccccn2)oc2ccc3ccccc3c12
InChIInChI=1S/C18H11NO2/c20-15-11-17(14-7-3-4-10-19-14)21-16-9-8-12-5-1-2-6-13(12)18(15)16/h1-11H
InChIKeyZTEHSCMHCBKLIH-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_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-pyridin-2-ylbenzo[f]chromen-1-one?
The IUPAC name of 3-pyridin-2-ylbenzo[f]chromen-1-one (CID 46232175) is 3-pyridin-2-ylbenzo[f]chromen-1-one.
What is the SMILES notation for 3-pyridin-2-ylbenzo[f]chromen-1-one?
The canonical SMILES for 3-pyridin-2-ylbenzo[f]chromen-1-one is O=c1cc(-c2ccccn2)oc2ccc3ccccc3c12.
What is the InChIKey of 3-pyridin-2-ylbenzo[f]chromen-1-one?
The InChIKey is ZTEHSCMHCBKLIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11NO2/c20-15-11-17(14-7-3-4-10-19-14)21-16-9-8-12-5-1-2-6-13(12)18(15)16/h1-11H.
What are the key properties of 3-pyridin-2-ylbenzo[f]chromen-1-one?
3-pyridin-2-ylbenzo[f]chromen-1-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 3-pyridin-2-ylbenzo[f]chromen-1-one is sourced from PubChem (CID 46232175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).