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

C13H13F2NO4 — CID 58317155

IUPAC4-(5,5-difluoropentyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
SMILESO=C1Cc2oc(=O)cc(CCCCC(F)F)c2C(=O)N1
InChIInChI=1S/C13H13F2NO4/c14-9(15)4-2-1-3-7-5-11(18)20-8-6-10(17)16-13(19)12(7)8/h5,9H,1-4,6H2,(H,16,17,19)
InChIKeyUVZRJEVSUAEMFB-UHFFFAOYSA-N
MW285.25 g/mol
LogP1.43
Rot. Bonds5

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

4-(5,5-difluoropentyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione (PubChem CID 58317155) has the molecular formula C13H13F2NO4 and a molecular weight of 285.25 g/mol. Its IUPAC name is 4-(5,5-difluoropentyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione.

Molecular Properties

Compound Name4-(5,5-difluoropentyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
PubChem CID58317155
Molecular FormulaC13H13F2NO4
Molecular Weight285.25 g/mol
Exact Mass285.08
IUPAC Name4-(5,5-difluoropentyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
SMILESO=C1Cc2oc(=O)cc(CCCCC(F)F)c2C(=O)N1
InChIInChI=1S/C13H13F2NO4/c14-9(15)4-2-1-3-7-5-11(18)20-8-6-10(17)16-13(19)12(7)8/h5,9H,1-4,6H2,(H,16,17,19)
InChIKeyUVZRJEVSUAEMFB-UHFFFAOYSA-N
XLogP1.43
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.25
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(5,5-difluoropentyl)-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-pent-4-enyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317151
4-(2,2,2-trifluoroethyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317097
4-[3-(1-cyclopropylcyclopropyl)propyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317224
4-(3-cyclohexyloxypropyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317010
4-hexyl-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione
CID 58187698
4-(3-ethylpentyl)-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione
CID 58187460
4-(cyclohexylmethyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58187702
4-(5,5-difluoropent-4-enyl)-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione
CID 58187732
7-methylidene-4-(4,4,4-trifluorobutyl)-8H-pyrano[3,2-c]pyridine-2,5-dione
CID 58187637
4-[(4-methylcyclohexyl)methyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317147
4-[3-(1-cyclopropylcyclopropyl)propyl]-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione
CID 58187602
7-methylidene-4-(2,2,2-trifluoroethyl)-8H-pyrano[3,2-c]pyridine-2,5-dione
CID 58187461

Frequently Asked Questions

What is the IUPAC name of 4-(5,5-difluoropentyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione?
The IUPAC name of 4-(5,5-difluoropentyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione (CID 58317155) is 4-(5,5-difluoropentyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione.
What is the SMILES notation for 4-(5,5-difluoropentyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione?
The canonical SMILES for 4-(5,5-difluoropentyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione is O=C1Cc2oc(=O)cc(CCCCC(F)F)c2C(=O)N1.
What is the InChIKey of 4-(5,5-difluoropentyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione?
The InChIKey is UVZRJEVSUAEMFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2NO4/c14-9(15)4-2-1-3-7-5-11(18)20-8-6-10(17)16-13(19)12(7)8/h5,9H,1-4,6H2,(H,16,17,19).
What are the key properties of 4-(5,5-difluoropentyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione?
4-(5,5-difluoropentyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione has a molecular weight of 285.25 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,5-difluoropentyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione is sourced from PubChem (CID 58317155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).