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

C14H14F3NO4 — CID 58317065

IUPAC4-butyl-6-(2,2,2-trifluoroethyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
SMILESCCCCc1cc(=O)oc2c1C(=O)N(CC(F)(F)F)C(=O)C2
InChIInChI=1S/C14H14F3NO4/c1-2-3-4-8-5-11(20)22-9-6-10(19)18(7-14(15,16)17)13(21)12(8)9/h5H,2-4,6-7H2,1H3
InChIKeyDTCNDAQXPZMYOJ-UHFFFAOYSA-N
MW317.26 g/mol
LogP2.07
Rot. Bonds4

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

4-butyl-6-(2,2,2-trifluoroethyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione (PubChem CID 58317065) has the molecular formula C14H14F3NO4 and a molecular weight of 317.26 g/mol. Its IUPAC name is 4-butyl-6-(2,2,2-trifluoroethyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione.

Molecular Properties

Compound Name4-butyl-6-(2,2,2-trifluoroethyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
PubChem CID58317065
Molecular FormulaC14H14F3NO4
Molecular Weight317.26 g/mol
Exact Mass317.09
IUPAC Name4-butyl-6-(2,2,2-trifluoroethyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
SMILESCCCCc1cc(=O)oc2c1C(=O)N(CC(F)(F)F)C(=O)C2
InChIInChI=1S/C14H14F3NO4/c1-2-3-4-8-5-11(20)22-9-6-10(19)18(7-14(15,16)17)13(21)12(8)9/h5H,2-4,6-7H2,1H3
InChIKeyDTCNDAQXPZMYOJ-UHFFFAOYSA-N
XLogP2.07
TPSA67.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.26
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-butyl-6-(2,2,2-trifluoroethyl)-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-(3-Cyclopropylpropyl)-6-(difluoromethyl)-7,8-dihydropyrano[3,2-c]pyridine-2,5-dione
CID 58187424
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-(fluoromethyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58187726

Frequently Asked Questions

What is the IUPAC name of 4-butyl-6-(2,2,2-trifluoroethyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione?
The IUPAC name of 4-butyl-6-(2,2,2-trifluoroethyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione (CID 58317065) is 4-butyl-6-(2,2,2-trifluoroethyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione.
What is the SMILES notation for 4-butyl-6-(2,2,2-trifluoroethyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione?
The canonical SMILES for 4-butyl-6-(2,2,2-trifluoroethyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione is CCCCc1cc(=O)oc2c1C(=O)N(CC(F)(F)F)C(=O)C2.
What is the InChIKey of 4-butyl-6-(2,2,2-trifluoroethyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione?
The InChIKey is DTCNDAQXPZMYOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3NO4/c1-2-3-4-8-5-11(20)22-9-6-10(19)18(7-14(15,16)17)13(21)12(8)9/h5H,2-4,6-7H2,1H3.
What are the key properties of 4-butyl-6-(2,2,2-trifluoroethyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione?
4-butyl-6-(2,2,2-trifluoroethyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione has a molecular weight of 317.26 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-6-(2,2,2-trifluoroethyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione is sourced from PubChem (CID 58317065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).