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

C15H15F2NO4 — CID 58317113

IUPAC4-[4-(difluoromethylidene)hexyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione
SMILESCCC(CCCc1cc(=O)oc2c1C(=O)NC(=O)C2)=C(F)F
InChIInChI=1S/C15H15F2NO4/c1-2-8(14(16)17)4-3-5-9-6-12(20)22-10-7-11(19)18-15(21)13(9)10/h6H,2-5,7H2,1H3,(H,18,19,21)
InChIKeyNLTGOXSSFJTUIN-UHFFFAOYSA-N
MW311.28 g/mol
LogP2.34
Rot. Bonds5

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

4-[4-(difluoromethylidene)hexyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione (PubChem CID 58317113) has the molecular formula C15H15F2NO4 and a molecular weight of 311.28 g/mol. Its IUPAC name is 4-[4-(difluoromethylidene)hexyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione.

Molecular Properties

Compound Name4-[4-(difluoromethylidene)hexyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione
PubChem CID58317113
Molecular FormulaC15H15F2NO4
Molecular Weight311.28 g/mol
Exact Mass311.10
IUPAC Name4-[4-(difluoromethylidene)hexyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione
SMILESCCC(CCCc1cc(=O)oc2c1C(=O)NC(=O)C2)=C(F)F
InChIInChI=1S/C15H15F2NO4/c1-2-8(14(16)17)4-3-5-9-6-12(20)22-10-7-11(19)18-15(21)13(9)10/h6H,2-5,7H2,1H3,(H,18,19,21)
InChIKeyNLTGOXSSFJTUIN-UHFFFAOYSA-N
XLogP2.34
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.28
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[4-(difluoromethylidene)hexyl]-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

4-butyl-6-(2-fluoropropyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58187456
7-methylidene-4-(5,5,5-trifluoropentyl)-8H-pyrano[3,2-c]pyridine-2,5-dione
CID 58187480
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
4-[4-(difluoromethylidene)hexyl]-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione
CID 58187601
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-butyl-6-(1-fluoroethyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58187711
4-butyl-6-(2-fluoroethyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58187712
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

Frequently Asked Questions

What is the IUPAC name of 4-[4-(difluoromethylidene)hexyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione?
The IUPAC name of 4-[4-(difluoromethylidene)hexyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione (CID 58317113) is 4-[4-(difluoromethylidene)hexyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione.
What is the SMILES notation for 4-[4-(difluoromethylidene)hexyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione?
The canonical SMILES for 4-[4-(difluoromethylidene)hexyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione is CCC(CCCc1cc(=O)oc2c1C(=O)NC(=O)C2)=C(F)F.
What is the InChIKey of 4-[4-(difluoromethylidene)hexyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione?
The InChIKey is NLTGOXSSFJTUIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2NO4/c1-2-8(14(16)17)4-3-5-9-6-12(20)22-10-7-11(19)18-15(21)13(9)10/h6H,2-5,7H2,1H3,(H,18,19,21).
What are the key properties of 4-[4-(difluoromethylidene)hexyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione?
4-[4-(difluoromethylidene)hexyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione has a molecular weight of 311.28 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(difluoromethylidene)hexyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione is sourced from PubChem (CID 58317113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).