2,3,4-trimethylfuro[3,4-b]pyridine-5,7-dione

C10H9NO3 — CID 58426066

IUPAC2,3,4-trimethylfuro[3,4-b]pyridine-5,7-dione
SMILESCc1nc2c(c(C)c1C)C(=O)OC2=O
InChIInChI=1S/C10H9NO3/c1-4-5(2)7-8(11-6(4)3)10(13)14-9(7)12/h1-3H3
InChIKeyDWUJWDDKDCHBFI-UHFFFAOYSA-N
MW191.19 g/mol
LogP1.32
Rot. Bonds

About 2,3,4-trimethylfuro[3,4-b]pyridine-5,7-dione

2,3,4-trimethylfuro[3,4-b]pyridine-5,7-dione (PubChem CID 58426066) has the molecular formula C10H9NO3 and a molecular weight of 191.19 g/mol. Its IUPAC name is 2,3,4-trimethylfuro[3,4-b]pyridine-5,7-dione.

Molecular Properties

Compound Name2,3,4-trimethylfuro[3,4-b]pyridine-5,7-dione
PubChem CID58426066
Molecular FormulaC10H9NO3
Molecular Weight191.19 g/mol
Exact Mass191.06
IUPAC Name2,3,4-trimethylfuro[3,4-b]pyridine-5,7-dione
SMILESCc1nc2c(c(C)c1C)C(=O)OC2=O
InChIInChI=1S/C10H9NO3/c1-4-5(2)7-8(11-6(4)3)10(13)14-9(7)12/h1-3H3
InChIKeyDWUJWDDKDCHBFI-UHFFFAOYSA-N
XLogP1.32
TPSA56.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3,4-trimethylfuro[3,4-b]pyridine-5,7-dione?
The IUPAC name of 2,3,4-trimethylfuro[3,4-b]pyridine-5,7-dione (CID 58426066) is 2,3,4-trimethylfuro[3,4-b]pyridine-5,7-dione.
What is the SMILES notation for 2,3,4-trimethylfuro[3,4-b]pyridine-5,7-dione?
The canonical SMILES for 2,3,4-trimethylfuro[3,4-b]pyridine-5,7-dione is Cc1nc2c(c(C)c1C)C(=O)OC2=O.
What is the InChIKey of 2,3,4-trimethylfuro[3,4-b]pyridine-5,7-dione?
The InChIKey is DWUJWDDKDCHBFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO3/c1-4-5(2)7-8(11-6(4)3)10(13)14-9(7)12/h1-3H3.
What are the key properties of 2,3,4-trimethylfuro[3,4-b]pyridine-5,7-dione?
2,3,4-trimethylfuro[3,4-b]pyridine-5,7-dione has a molecular weight of 191.19 g/mol, XLogP of 1.32, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trimethylfuro[3,4-b]pyridine-5,7-dione is sourced from PubChem (CID 58426066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).