3-pyridin-3-ylchromen-2-one

C14H9NO2 — CID 13278

IUPAC3-pyridin-3-ylchromen-2-one
SMILESO=c1oc2ccccc2cc1-c1cccnc1
InChIInChI=1S/C14H9NO2/c16-14-12(11-5-3-7-15-9-11)8-10-4-1-2-6-13(10)17-14/h1-9H
InChIKeyBPYWYJSDRHTBHG-UHFFFAOYSA-N
MW223.23 g/mol
LogP2.86
Rot. Bonds1

About 3-pyridin-3-ylchromen-2-one

3-pyridin-3-ylchromen-2-one (PubChem CID 13278) has the molecular formula C14H9NO2 and a molecular weight of 223.23 g/mol. Its IUPAC name is 3-pyridin-3-ylchromen-2-one.

Molecular Properties

Compound Name3-pyridin-3-ylchromen-2-one
PubChem CID13278
Molecular FormulaC14H9NO2
Molecular Weight223.23 g/mol
Exact Mass223.06
IUPAC Name3-pyridin-3-ylchromen-2-one
SMILESO=c1oc2ccccc2cc1-c1cccnc1
InChIInChI=1S/C14H9NO2/c16-14-12(11-5-3-7-15-9-11)8-10-4-1-2-6-13(10)17-14/h1-9H
InChIKeyBPYWYJSDRHTBHG-UHFFFAOYSA-N
XLogP2.86
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-pyridin-3-ylchromen-2-one?
The IUPAC name of 3-pyridin-3-ylchromen-2-one (CID 13278) is 3-pyridin-3-ylchromen-2-one.
What is the SMILES notation for 3-pyridin-3-ylchromen-2-one?
The canonical SMILES for 3-pyridin-3-ylchromen-2-one is O=c1oc2ccccc2cc1-c1cccnc1.
What is the InChIKey of 3-pyridin-3-ylchromen-2-one?
The InChIKey is BPYWYJSDRHTBHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9NO2/c16-14-12(11-5-3-7-15-9-11)8-10-4-1-2-6-13(10)17-14/h1-9H.
What are the key properties of 3-pyridin-3-ylchromen-2-one?
3-pyridin-3-ylchromen-2-one has a molecular weight of 223.23 g/mol, XLogP of 2.86, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-3-ylchromen-2-one is sourced from PubChem (CID 13278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).