4-(3,3-difluoropropyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione

C11H9F2NO4 — CID 58317125

IUPAC4-(3,3-difluoropropyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
SMILESO=C1Cc2oc(=O)cc(CCC(F)F)c2C(=O)N1
InChIInChI=1S/C11H9F2NO4/c12-7(13)2-1-5-3-9(16)18-6-4-8(15)14-11(17)10(5)6/h3,7H,1-2,4H2,(H,14,15,17)
InChIKeyFWGHRLXAOGQDIF-UHFFFAOYSA-N
MW257.19 g/mol
LogP0.65
Rot. Bonds3

About 4-(3,3-difluoropropyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione

4-(3,3-difluoropropyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione (PubChem CID 58317125) has the molecular formula C11H9F2NO4 and a molecular weight of 257.19 g/mol. Its IUPAC name is 4-(3,3-difluoropropyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione.

Molecular Properties

Compound Name4-(3,3-difluoropropyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
PubChem CID58317125
Molecular FormulaC11H9F2NO4
Molecular Weight257.19 g/mol
Exact Mass257.05
IUPAC Name4-(3,3-difluoropropyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
SMILESO=C1Cc2oc(=O)cc(CCC(F)F)c2C(=O)N1
InChIInChI=1S/C11H9F2NO4/c12-7(13)2-1-5-3-9(16)18-6-4-8(15)14-11(17)10(5)6/h3,7H,1-2,4H2,(H,14,15,17)
InChIKeyFWGHRLXAOGQDIF-UHFFFAOYSA-N
XLogP0.65
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.19
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 4-(3,3-difluoropropyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

7-methylidene-4-(2,2,2-trifluoroethyl)-8H-pyrano[3,2-c]pyridine-2,5-dione
CID 58187461
7-methylidene-4-(5,5,5-trifluoropentyl)-8H-pyrano[3,2-c]pyridine-2,5-dione
CID 58187480
6-(fluoromethyl)-4-propyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58187495
6-(2-fluoroethyl)-4-propyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58187523
4-butyl-6-(2,2-difluoropropyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58187560
7-methylidene-4-(3,3,3-trifluoropropyl)-8H-pyrano[3,2-c]pyridine-2,5-dione
CID 58187587
7-methylidene-4-(4,4,4-trifluorobutyl)-8H-pyrano[3,2-c]pyridine-2,5-dione
CID 58187637
4-(5,5-difluoro-4-methylpent-4-enyl)-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione
CID 58187647
4-(5,5-difluoropent-4-enyl)-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione
CID 58187732
4-(5,5-difluoro-4-methylpent-4-enyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317013
4-[2-(3,3-difluorocyclobutyl)ethyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317055
4-butyl-6-(difluoromethyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317059

Frequently Asked Questions

What is the IUPAC name of 4-(3,3-difluoropropyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione?
The IUPAC name of 4-(3,3-difluoropropyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione (CID 58317125) is 4-(3,3-difluoropropyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione.
What is the SMILES notation for 4-(3,3-difluoropropyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione?
The canonical SMILES for 4-(3,3-difluoropropyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione is O=C1Cc2oc(=O)cc(CCC(F)F)c2C(=O)N1.
What is the InChIKey of 4-(3,3-difluoropropyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione?
The InChIKey is FWGHRLXAOGQDIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F2NO4/c12-7(13)2-1-5-3-9(16)18-6-4-8(15)14-11(17)10(5)6/h3,7H,1-2,4H2,(H,14,15,17).
What are the key properties of 4-(3,3-difluoropropyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione?
4-(3,3-difluoropropyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione has a molecular weight of 257.19 g/mol, XLogP of 0.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-difluoropropyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione is sourced from PubChem (CID 58317125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).