2-pyridin-4-ylbenzo[h]chromen-4-one

C18H11NO2 — CID 3163532

IUPAC2-pyridin-4-ylbenzo[h]chromen-4-one
SMILESO=c1cc(-c2ccncc2)oc2c1ccc1ccccc12
InChIInChI=1S/C18H11NO2/c20-16-11-17(13-7-9-19-10-8-13)21-18-14-4-2-1-3-12(14)5-6-15(16)18/h1-11H
InChIKeyLZCOBWKVDSSOBB-UHFFFAOYSA-N
MW273.29 g/mol
LogP4.01
Rot. Bonds1

About 2-pyridin-4-ylbenzo[h]chromen-4-one

2-pyridin-4-ylbenzo[h]chromen-4-one (PubChem CID 3163532) has the molecular formula C18H11NO2 and a molecular weight of 273.29 g/mol. Its IUPAC name is 2-pyridin-4-ylbenzo[h]chromen-4-one.

Molecular Properties

Compound Name2-pyridin-4-ylbenzo[h]chromen-4-one
PubChem CID3163532
Molecular FormulaC18H11NO2
Molecular Weight273.29 g/mol
Exact Mass273.08
IUPAC Name2-pyridin-4-ylbenzo[h]chromen-4-one
SMILESO=c1cc(-c2ccncc2)oc2c1ccc1ccccc12
InChIInChI=1S/C18H11NO2/c20-16-11-17(13-7-9-19-10-8-13)21-18-14-4-2-1-3-12(14)5-6-15(16)18/h1-11H
InChIKeyLZCOBWKVDSSOBB-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 2-pyridin-4-ylbenzo[h]chromen-4-one?
The IUPAC name of 2-pyridin-4-ylbenzo[h]chromen-4-one (CID 3163532) is 2-pyridin-4-ylbenzo[h]chromen-4-one.
What is the SMILES notation for 2-pyridin-4-ylbenzo[h]chromen-4-one?
The canonical SMILES for 2-pyridin-4-ylbenzo[h]chromen-4-one is O=c1cc(-c2ccncc2)oc2c1ccc1ccccc12.
What is the InChIKey of 2-pyridin-4-ylbenzo[h]chromen-4-one?
The InChIKey is LZCOBWKVDSSOBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11NO2/c20-16-11-17(13-7-9-19-10-8-13)21-18-14-4-2-1-3-12(14)5-6-15(16)18/h1-11H.
What are the key properties of 2-pyridin-4-ylbenzo[h]chromen-4-one?
2-pyridin-4-ylbenzo[h]chromen-4-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 2-pyridin-4-ylbenzo[h]chromen-4-one is sourced from PubChem (CID 3163532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).