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

C13H14FNO4 — CID 58187523

IUPAC6-(2-fluoroethyl)-4-propyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione
SMILESCCCc1cc(=O)oc2c1C(=O)N(CCF)C(=O)C2
InChIInChI=1S/C13H14FNO4/c1-2-3-8-6-11(17)19-9-7-10(16)15(5-4-14)13(18)12(8)9/h6H,2-5,7H2,1H3
InChIKeyCUJIQCILMVKYNB-UHFFFAOYSA-N
MW267.26 g/mol
LogP1.09
Rot. Bonds4

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

6-(2-fluoroethyl)-4-propyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione (PubChem CID 58187523) has the molecular formula C13H14FNO4 and a molecular weight of 267.26 g/mol. Its IUPAC name is 6-(2-fluoroethyl)-4-propyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione.

Molecular Properties

Compound Name6-(2-fluoroethyl)-4-propyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione
PubChem CID58187523
Molecular FormulaC13H14FNO4
Molecular Weight267.26 g/mol
Exact Mass267.09
IUPAC Name6-(2-fluoroethyl)-4-propyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione
SMILESCCCc1cc(=O)oc2c1C(=O)N(CCF)C(=O)C2
InChIInChI=1S/C13H14FNO4/c1-2-3-8-6-11(17)19-9-7-10(16)15(5-4-14)13(18)12(8)9/h6H,2-5,7H2,1H3
InChIKeyCUJIQCILMVKYNB-UHFFFAOYSA-N
XLogP1.09
TPSA67.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.26
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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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
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-(fluoromethyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58187726
4-butyl-6-(difluoromethyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317059
4-butyl-6-(2,2,2-trifluoroethyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317065

Frequently Asked Questions

What is the IUPAC name of 6-(2-fluoroethyl)-4-propyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione?
The IUPAC name of 6-(2-fluoroethyl)-4-propyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione (CID 58187523) is 6-(2-fluoroethyl)-4-propyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione.
What is the SMILES notation for 6-(2-fluoroethyl)-4-propyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione?
The canonical SMILES for 6-(2-fluoroethyl)-4-propyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione is CCCc1cc(=O)oc2c1C(=O)N(CCF)C(=O)C2.
What is the InChIKey of 6-(2-fluoroethyl)-4-propyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione?
The InChIKey is CUJIQCILMVKYNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO4/c1-2-3-8-6-11(17)19-9-7-10(16)15(5-4-14)13(18)12(8)9/h6H,2-5,7H2,1H3.
What are the key properties of 6-(2-fluoroethyl)-4-propyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione?
6-(2-fluoroethyl)-4-propyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione has a molecular weight of 267.26 g/mol, XLogP of 1.09, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluoroethyl)-4-propyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione is sourced from PubChem (CID 58187523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).