7-(phenoxymethyl)-2,3-dihydropyrano[2,3-b]pyridin-4-one

C15H13NO3 — CID 53318411

IUPAC7-(phenoxymethyl)-2,3-dihydropyrano[2,3-b]pyridin-4-one
SMILESO=C1CCOc2nc(COc3ccccc3)ccc21
InChIInChI=1S/C15H13NO3/c17-14-8-9-18-15-13(14)7-6-11(16-15)10-19-12-4-2-1-3-5-12/h1-7H,8-10H2
InChIKeyRDTNMKBRGQQHLS-UHFFFAOYSA-N
MW255.27 g/mol
LogP2.63
Rot. Bonds3

About 7-(phenoxymethyl)-2,3-dihydropyrano[2,3-b]pyridin-4-one

7-(phenoxymethyl)-2,3-dihydropyrano[2,3-b]pyridin-4-one (PubChem CID 53318411) has the molecular formula C15H13NO3 and a molecular weight of 255.27 g/mol. Its IUPAC name is 7-(phenoxymethyl)-2,3-dihydropyrano[2,3-b]pyridin-4-one.

Molecular Properties

Compound Name7-(phenoxymethyl)-2,3-dihydropyrano[2,3-b]pyridin-4-one
PubChem CID53318411
Molecular FormulaC15H13NO3
Molecular Weight255.27 g/mol
Exact Mass255.09
IUPAC Name7-(phenoxymethyl)-2,3-dihydropyrano[2,3-b]pyridin-4-one
SMILESO=C1CCOc2nc(COc3ccccc3)ccc21
InChIInChI=1S/C15H13NO3/c17-14-8-9-18-15-13(14)7-6-11(16-15)10-19-12-4-2-1-3-5-12/h1-7H,8-10H2
InChIKeyRDTNMKBRGQQHLS-UHFFFAOYSA-N
XLogP2.63
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(phenoxymethyl)-2,3-dihydropyrano[2,3-b]pyridin-4-one?
The IUPAC name of 7-(phenoxymethyl)-2,3-dihydropyrano[2,3-b]pyridin-4-one (CID 53318411) is 7-(phenoxymethyl)-2,3-dihydropyrano[2,3-b]pyridin-4-one.
What is the SMILES notation for 7-(phenoxymethyl)-2,3-dihydropyrano[2,3-b]pyridin-4-one?
The canonical SMILES for 7-(phenoxymethyl)-2,3-dihydropyrano[2,3-b]pyridin-4-one is O=C1CCOc2nc(COc3ccccc3)ccc21.
What is the InChIKey of 7-(phenoxymethyl)-2,3-dihydropyrano[2,3-b]pyridin-4-one?
The InChIKey is RDTNMKBRGQQHLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO3/c17-14-8-9-18-15-13(14)7-6-11(16-15)10-19-12-4-2-1-3-5-12/h1-7H,8-10H2.
What are the key properties of 7-(phenoxymethyl)-2,3-dihydropyrano[2,3-b]pyridin-4-one?
7-(phenoxymethyl)-2,3-dihydropyrano[2,3-b]pyridin-4-one has a molecular weight of 255.27 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(phenoxymethyl)-2,3-dihydropyrano[2,3-b]pyridin-4-one is sourced from PubChem (CID 53318411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).