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

C14H15F2NO4 — CID 58317142

IUPAC4-(6,6-difluorohexyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
SMILESO=C1Cc2oc(=O)cc(CCCCCC(F)F)c2C(=O)N1
InChIInChI=1S/C14H15F2NO4/c15-10(16)5-3-1-2-4-8-6-12(19)21-9-7-11(18)17-14(20)13(8)9/h6,10H,1-5,7H2,(H,17,18,20)
InChIKeyMYRUALSETXNQII-UHFFFAOYSA-N
MW299.27 g/mol
LogP1.82
Rot. Bonds6

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

4-(6,6-difluorohexyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione (PubChem CID 58317142) has the molecular formula C14H15F2NO4 and a molecular weight of 299.27 g/mol. Its IUPAC name is 4-(6,6-difluorohexyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione.

Molecular Properties

Compound Name4-(6,6-difluorohexyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
PubChem CID58317142
Molecular FormulaC14H15F2NO4
Molecular Weight299.27 g/mol
Exact Mass299.10
IUPAC Name4-(6,6-difluorohexyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
SMILESO=C1Cc2oc(=O)cc(CCCCCC(F)F)c2C(=O)N1
InChIInChI=1S/C14H15F2NO4/c15-10(16)5-3-1-2-4-8-6-12(19)21-9-7-11(18)17-14(20)13(8)9/h6,10H,1-5,7H2,(H,17,18,20)
InChIKeyMYRUALSETXNQII-UHFFFAOYSA-N
XLogP1.82
TPSA76.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.27
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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-(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
4-butyl-6-(difluoromethyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317059
4-[[(1S)-3,3-difluorocyclopentyl]methyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317062
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 4-(6,6-difluorohexyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione?
The IUPAC name of 4-(6,6-difluorohexyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione (CID 58317142) is 4-(6,6-difluorohexyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione.
What is the SMILES notation for 4-(6,6-difluorohexyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione?
The canonical SMILES for 4-(6,6-difluorohexyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione is O=C1Cc2oc(=O)cc(CCCCCC(F)F)c2C(=O)N1.
What is the InChIKey of 4-(6,6-difluorohexyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione?
The InChIKey is MYRUALSETXNQII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2NO4/c15-10(16)5-3-1-2-4-8-6-12(19)21-9-7-11(18)17-14(20)13(8)9/h6,10H,1-5,7H2,(H,17,18,20).
What are the key properties of 4-(6,6-difluorohexyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione?
4-(6,6-difluorohexyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione has a molecular weight of 299.27 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6,6-difluorohexyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione is sourced from PubChem (CID 58317142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).