pyrano[3,4-c]pyridin-8-one

C8H5NO2 — CID 54268729

IUPACpyrano[3,4-c]pyridin-8-one
SMILESO=c1nccc2ccocc1-2
InChIInChI=1S/C8H5NO2/c10-8-7-5-11-4-2-6(7)1-3-9-8/h1-5H
InChIKeyRIQGXBGXVNQTIT-UHFFFAOYSA-N
MW147.13 g/mol
LogP1.14
Rot. Bonds

About pyrano[3,4-c]pyridin-8-one

pyrano[3,4-c]pyridin-8-one (PubChem CID 54268729) has the molecular formula C8H5NO2 and a molecular weight of 147.13 g/mol. Its IUPAC name is pyrano[3,4-c]pyridin-8-one.

Molecular Properties

Compound Namepyrano[3,4-c]pyridin-8-one
PubChem CID54268729
Molecular FormulaC8H5NO2
Molecular Weight147.13 g/mol
Exact Mass147.03
IUPAC Namepyrano[3,4-c]pyridin-8-one
SMILESO=c1nccc2ccocc1-2
InChIInChI=1S/C8H5NO2/c10-8-7-5-11-4-2-6(7)1-3-9-8/h1-5H
InChIKeyRIQGXBGXVNQTIT-UHFFFAOYSA-N
XLogP1.14
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.13
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of pyrano[3,4-c]pyridin-8-one?
The IUPAC name of pyrano[3,4-c]pyridin-8-one (CID 54268729) is pyrano[3,4-c]pyridin-8-one.
What is the SMILES notation for pyrano[3,4-c]pyridin-8-one?
The canonical SMILES for pyrano[3,4-c]pyridin-8-one is O=c1nccc2ccocc1-2.
What is the InChIKey of pyrano[3,4-c]pyridin-8-one?
The InChIKey is RIQGXBGXVNQTIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5NO2/c10-8-7-5-11-4-2-6(7)1-3-9-8/h1-5H.
What are the key properties of pyrano[3,4-c]pyridin-8-one?
pyrano[3,4-c]pyridin-8-one has a molecular weight of 147.13 g/mol, XLogP of 1.14, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyrano[3,4-c]pyridin-8-one is sourced from PubChem (CID 54268729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).