3-methyl-8H-pyrano[2,3-b]pyridine-4,7-dione

C9H7NO3 — CID 23158234

IUPAC3-methyl-8H-pyrano[2,3-b]pyridine-4,7-dione
SMILESCc1coc2[nH]c(=O)ccc2c1=O
InChIInChI=1S/C9H7NO3/c1-5-4-13-9-6(8(5)12)2-3-7(11)10-9/h2-4H,1H3,(H,10,11)
InChIKeyLGIZXSCPJTXASJ-UHFFFAOYSA-N
MW177.16 g/mol
LogP0.79
Rot. Bonds

About 3-methyl-8H-pyrano[2,3-b]pyridine-4,7-dione

3-methyl-8H-pyrano[2,3-b]pyridine-4,7-dione (PubChem CID 23158234) has the molecular formula C9H7NO3 and a molecular weight of 177.16 g/mol. Its IUPAC name is 3-methyl-8H-pyrano[2,3-b]pyridine-4,7-dione.

Molecular Properties

Compound Name3-methyl-8H-pyrano[2,3-b]pyridine-4,7-dione
PubChem CID23158234
Molecular FormulaC9H7NO3
Molecular Weight177.16 g/mol
Exact Mass177.04
IUPAC Name3-methyl-8H-pyrano[2,3-b]pyridine-4,7-dione
SMILESCc1coc2[nH]c(=O)ccc2c1=O
InChIInChI=1S/C9H7NO3/c1-5-4-13-9-6(8(5)12)2-3-7(11)10-9/h2-4H,1H3,(H,10,11)
InChIKeyLGIZXSCPJTXASJ-UHFFFAOYSA-N
XLogP0.79
TPSA63.07 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.16
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-8H-pyrano[2,3-b]pyridine-4,7-dione?
The IUPAC name of 3-methyl-8H-pyrano[2,3-b]pyridine-4,7-dione (CID 23158234) is 3-methyl-8H-pyrano[2,3-b]pyridine-4,7-dione.
What is the SMILES notation for 3-methyl-8H-pyrano[2,3-b]pyridine-4,7-dione?
The canonical SMILES for 3-methyl-8H-pyrano[2,3-b]pyridine-4,7-dione is Cc1coc2[nH]c(=O)ccc2c1=O.
What is the InChIKey of 3-methyl-8H-pyrano[2,3-b]pyridine-4,7-dione?
The InChIKey is LGIZXSCPJTXASJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO3/c1-5-4-13-9-6(8(5)12)2-3-7(11)10-9/h2-4H,1H3,(H,10,11).
What are the key properties of 3-methyl-8H-pyrano[2,3-b]pyridine-4,7-dione?
3-methyl-8H-pyrano[2,3-b]pyridine-4,7-dione has a molecular weight of 177.16 g/mol, XLogP of 0.79, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-8H-pyrano[2,3-b]pyridine-4,7-dione is sourced from PubChem (CID 23158234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).