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

C12H11F2NO4 — CID 58317114

IUPAC4-(4,4-difluorobutyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
SMILESO=C1Cc2oc(=O)cc(CCCC(F)F)c2C(=O)N1
InChIInChI=1S/C12H11F2NO4/c13-8(14)3-1-2-6-4-10(17)19-7-5-9(16)15-12(18)11(6)7/h4,8H,1-3,5H2,(H,15,16,18)
InChIKeyDGISUGDNGUQODP-UHFFFAOYSA-N
MW271.22 g/mol
LogP1.04
Rot. Bonds4

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

4-(4,4-difluorobutyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione (PubChem CID 58317114) has the molecular formula C12H11F2NO4 and a molecular weight of 271.22 g/mol. Its IUPAC name is 4-(4,4-difluorobutyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione.

Molecular Properties

Compound Name4-(4,4-difluorobutyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
PubChem CID58317114
Molecular FormulaC12H11F2NO4
Molecular Weight271.22 g/mol
Exact Mass271.07
IUPAC Name4-(4,4-difluorobutyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
SMILESO=C1Cc2oc(=O)cc(CCCC(F)F)c2C(=O)N1
InChIInChI=1S/C12H11F2NO4/c13-8(14)3-1-2-6-4-10(17)19-7-5-9(16)15-12(18)11(6)7/h4,8H,1-3,5H2,(H,15,16,18)
InChIKeyDGISUGDNGUQODP-UHFFFAOYSA-N
XLogP1.04
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.22
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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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-(4,4-difluorobutyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione?
The IUPAC name of 4-(4,4-difluorobutyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione (CID 58317114) is 4-(4,4-difluorobutyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione.
What is the SMILES notation for 4-(4,4-difluorobutyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione?
The canonical SMILES for 4-(4,4-difluorobutyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione is O=C1Cc2oc(=O)cc(CCCC(F)F)c2C(=O)N1.
What is the InChIKey of 4-(4,4-difluorobutyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione?
The InChIKey is DGISUGDNGUQODP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2NO4/c13-8(14)3-1-2-6-4-10(17)19-7-5-9(16)15-12(18)11(6)7/h4,8H,1-3,5H2,(H,15,16,18).
What are the key properties of 4-(4,4-difluorobutyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione?
4-(4,4-difluorobutyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione has a molecular weight of 271.22 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,4-difluorobutyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione is sourced from PubChem (CID 58317114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).