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

C16H17F2NO4 — CID 58317122

IUPAC6-cyclobutyl-4-(4,4-difluorobutyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
SMILESO=C1Cc2oc(=O)cc(CCCC(F)F)c2C(=O)N1C1CCC1
InChIInChI=1S/C16H17F2NO4/c17-12(18)6-1-3-9-7-14(21)23-11-8-13(20)19(10-4-2-5-10)16(22)15(9)11/h7,10,12H,1-6,8H2
InChIKeyQFGTUYOAYRKUAT-UHFFFAOYSA-N
MW325.31 g/mol
LogP2.31
Rot. Bonds5

About 6-cyclobutyl-4-(4,4-difluorobutyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione

6-cyclobutyl-4-(4,4-difluorobutyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione (PubChem CID 58317122) has the molecular formula C16H17F2NO4 and a molecular weight of 325.31 g/mol. Its IUPAC name is 6-cyclobutyl-4-(4,4-difluorobutyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione.

Molecular Properties

Compound Name6-cyclobutyl-4-(4,4-difluorobutyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
PubChem CID58317122
Molecular FormulaC16H17F2NO4
Molecular Weight325.31 g/mol
Exact Mass325.11
IUPAC Name6-cyclobutyl-4-(4,4-difluorobutyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
SMILESO=C1Cc2oc(=O)cc(CCCC(F)F)c2C(=O)N1C1CCC1
InChIInChI=1S/C16H17F2NO4/c17-12(18)6-1-3-9-7-14(21)23-11-8-13(20)19(10-4-2-5-10)16(22)15(9)11/h7,10,12H,1-6,8H2
InChIKeyQFGTUYOAYRKUAT-UHFFFAOYSA-N
XLogP2.31
TPSA67.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.31
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-cyclobutyl-4-(4,4-difluorobutyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione with MolForge

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Related Compounds

4-(3-cyclopropylpropyl)-6-(2-fluoropropyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58187329
4-(3-cyclopropylpropyl)-6-(1-fluoroethyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58187396
4-butyl-6-(2-fluoropropyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58187456
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
4-(3-cyclopropylpropyl)-6-(2-fluoroethyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58187606
4-ethyl-6-(2-fluoroethyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58187659
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-(3-cyclopropylpropyl)-6-(2,2-difluoroethyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317038
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 6-cyclobutyl-4-(4,4-difluorobutyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione?
The IUPAC name of 6-cyclobutyl-4-(4,4-difluorobutyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione (CID 58317122) is 6-cyclobutyl-4-(4,4-difluorobutyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione.
What is the SMILES notation for 6-cyclobutyl-4-(4,4-difluorobutyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione?
The canonical SMILES for 6-cyclobutyl-4-(4,4-difluorobutyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione is O=C1Cc2oc(=O)cc(CCCC(F)F)c2C(=O)N1C1CCC1.
What is the InChIKey of 6-cyclobutyl-4-(4,4-difluorobutyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione?
The InChIKey is QFGTUYOAYRKUAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NO4/c17-12(18)6-1-3-9-7-14(21)23-11-8-13(20)19(10-4-2-5-10)16(22)15(9)11/h7,10,12H,1-6,8H2.
What are the key properties of 6-cyclobutyl-4-(4,4-difluorobutyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione?
6-cyclobutyl-4-(4,4-difluorobutyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione has a molecular weight of 325.31 g/mol, XLogP of 2.31, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclobutyl-4-(4,4-difluorobutyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione is sourced from PubChem (CID 58317122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).