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

C15H18FNO4 — CID 58317199

IUPAC6-(fluoromethyl)-4-hexyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione
SMILESCCCCCCc1cc(=O)oc2c1C(=O)N(CF)C(=O)C2
InChIInChI=1S/C15H18FNO4/c1-2-3-4-5-6-10-7-13(19)21-11-8-12(18)17(9-16)15(20)14(10)11/h7H,2-6,8-9H2,1H3
InChIKeyZUIHUVGJNGSVFD-UHFFFAOYSA-N
MW295.31 g/mol
LogP2.21
Rot. Bonds6

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

6-(fluoromethyl)-4-hexyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione (PubChem CID 58317199) has the molecular formula C15H18FNO4 and a molecular weight of 295.31 g/mol. Its IUPAC name is 6-(fluoromethyl)-4-hexyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione.

Molecular Properties

Compound Name6-(fluoromethyl)-4-hexyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione
PubChem CID58317199
Molecular FormulaC15H18FNO4
Molecular Weight295.31 g/mol
Exact Mass295.12
IUPAC Name6-(fluoromethyl)-4-hexyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione
SMILESCCCCCCc1cc(=O)oc2c1C(=O)N(CF)C(=O)C2
InChIInChI=1S/C15H18FNO4/c1-2-3-4-5-6-10-7-13(19)21-11-8-12(18)17(9-16)15(20)14(10)11/h7H,2-6,8-9H2,1H3
InChIKeyZUIHUVGJNGSVFD-UHFFFAOYSA-N
XLogP2.21
TPSA67.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'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-(3-Cyclopropylpropyl)-6-(fluoromethyl)-7,8-dihydropyrano[3,2-c]pyridine-2,5-dione
CID 58187404
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 6-(fluoromethyl)-4-hexyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione?
The IUPAC name of 6-(fluoromethyl)-4-hexyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione (CID 58317199) is 6-(fluoromethyl)-4-hexyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione.
What is the SMILES notation for 6-(fluoromethyl)-4-hexyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione?
The canonical SMILES for 6-(fluoromethyl)-4-hexyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione is CCCCCCc1cc(=O)oc2c1C(=O)N(CF)C(=O)C2.
What is the InChIKey of 6-(fluoromethyl)-4-hexyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione?
The InChIKey is ZUIHUVGJNGSVFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO4/c1-2-3-4-5-6-10-7-13(19)21-11-8-12(18)17(9-16)15(20)14(10)11/h7H,2-6,8-9H2,1H3.
What are the key properties of 6-(fluoromethyl)-4-hexyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione?
6-(fluoromethyl)-4-hexyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione has a molecular weight of 295.31 g/mol, XLogP of 2.21, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(fluoromethyl)-4-hexyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione is sourced from PubChem (CID 58317199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).