8-[4-(hydroxymethyl)phenyl]-2-pyridin-2-ylpyrano[2,3-c]pyridin-4-one

C20H14N2O3 — CID 134809802

IUPAC8-[4-(hydroxymethyl)phenyl]-2-pyridin-2-ylpyrano[2,3-c]pyridin-4-one
SMILESO=c1cc(-c2ccccn2)oc2c(-c3ccc(CO)cc3)nccc12
InChIInChI=1S/C20H14N2O3/c23-12-13-4-6-14(7-5-13)19-20-15(8-10-22-19)17(24)11-18(25-20)16-3-1-2-9-21-16/h1-11,23H,12H2
InChIKeyYZIICACVQOPSCA-UHFFFAOYSA-N
MW330.34 g/mol
LogP3.41
Rot. Bonds3

About 8-[4-(hydroxymethyl)phenyl]-2-pyridin-2-ylpyrano[2,3-c]pyridin-4-one

8-[4-(hydroxymethyl)phenyl]-2-pyridin-2-ylpyrano[2,3-c]pyridin-4-one (PubChem CID 134809802) has the molecular formula C20H14N2O3 and a molecular weight of 330.34 g/mol. Its IUPAC name is 8-[4-(hydroxymethyl)phenyl]-2-pyridin-2-ylpyrano[2,3-c]pyridin-4-one.

Molecular Properties

Compound Name8-[4-(hydroxymethyl)phenyl]-2-pyridin-2-ylpyrano[2,3-c]pyridin-4-one
PubChem CID134809802
Molecular FormulaC20H14N2O3
Molecular Weight330.34 g/mol
Exact Mass330.10
IUPAC Name8-[4-(hydroxymethyl)phenyl]-2-pyridin-2-ylpyrano[2,3-c]pyridin-4-one
SMILESO=c1cc(-c2ccccn2)oc2c(-c3ccc(CO)cc3)nccc12
InChIInChI=1S/C20H14N2O3/c23-12-13-4-6-14(7-5-13)19-20-15(8-10-22-19)17(24)11-18(25-20)16-3-1-2-9-21-16/h1-11,23H,12H2
InChIKeyYZIICACVQOPSCA-UHFFFAOYSA-N
XLogP3.41
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-[4-(hydroxymethyl)phenyl]-2-pyridin-2-ylpyrano[2,3-c]pyridin-4-one?
The IUPAC name of 8-[4-(hydroxymethyl)phenyl]-2-pyridin-2-ylpyrano[2,3-c]pyridin-4-one (CID 134809802) is 8-[4-(hydroxymethyl)phenyl]-2-pyridin-2-ylpyrano[2,3-c]pyridin-4-one.
What is the SMILES notation for 8-[4-(hydroxymethyl)phenyl]-2-pyridin-2-ylpyrano[2,3-c]pyridin-4-one?
The canonical SMILES for 8-[4-(hydroxymethyl)phenyl]-2-pyridin-2-ylpyrano[2,3-c]pyridin-4-one is O=c1cc(-c2ccccn2)oc2c(-c3ccc(CO)cc3)nccc12.
What is the InChIKey of 8-[4-(hydroxymethyl)phenyl]-2-pyridin-2-ylpyrano[2,3-c]pyridin-4-one?
The InChIKey is YZIICACVQOPSCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N2O3/c23-12-13-4-6-14(7-5-13)19-20-15(8-10-22-19)17(24)11-18(25-20)16-3-1-2-9-21-16/h1-11,23H,12H2.
What are the key properties of 8-[4-(hydroxymethyl)phenyl]-2-pyridin-2-ylpyrano[2,3-c]pyridin-4-one?
8-[4-(hydroxymethyl)phenyl]-2-pyridin-2-ylpyrano[2,3-c]pyridin-4-one has a molecular weight of 330.34 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(hydroxymethyl)phenyl]-2-pyridin-2-ylpyrano[2,3-c]pyridin-4-one is sourced from PubChem (CID 134809802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).