7-methylidene-4-(2,2,2-trifluoroethyl)-8H-pyrano[3,2-c]pyridine-2,5-dione

C11H8F3NO3 — CID 58187461

IUPAC7-methylidene-4-(2,2,2-trifluoroethyl)-8H-pyrano[3,2-c]pyridine-2,5-dione
SMILESC=C1Cc2oc(=O)cc(CC(F)(F)F)c2C(=O)N1
InChIInChI=1S/C11H8F3NO3/c1-5-2-7-9(10(17)15-5)6(3-8(16)18-7)4-11(12,13)14/h3H,1-2,4H2,(H,15,17)
InChIKeyJFQCGWNFXITKLL-UHFFFAOYSA-N
MW259.18 g/mol
LogP1.54
Rot. Bonds1

About 7-methylidene-4-(2,2,2-trifluoroethyl)-8H-pyrano[3,2-c]pyridine-2,5-dione

7-methylidene-4-(2,2,2-trifluoroethyl)-8H-pyrano[3,2-c]pyridine-2,5-dione (PubChem CID 58187461) has the molecular formula C11H8F3NO3 and a molecular weight of 259.18 g/mol. Its IUPAC name is 7-methylidene-4-(2,2,2-trifluoroethyl)-8H-pyrano[3,2-c]pyridine-2,5-dione.

Molecular Properties

Compound Name7-methylidene-4-(2,2,2-trifluoroethyl)-8H-pyrano[3,2-c]pyridine-2,5-dione
PubChem CID58187461
Molecular FormulaC11H8F3NO3
Molecular Weight259.18 g/mol
Exact Mass259.05
IUPAC Name7-methylidene-4-(2,2,2-trifluoroethyl)-8H-pyrano[3,2-c]pyridine-2,5-dione
SMILESC=C1Cc2oc(=O)cc(CC(F)(F)F)c2C(=O)N1
InChIInChI=1S/C11H8F3NO3/c1-5-2-7-9(10(17)15-5)6(3-8(16)18-7)4-11(12,13)14/h3H,1-2,4H2,(H,15,17)
InChIKeyJFQCGWNFXITKLL-UHFFFAOYSA-N
XLogP1.54
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.18
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,7-dimethyl-2H-pyrano[3,2-c]pyridine-2,5(6H)-dione
CID 705319
4-[[(1S)-3,3-difluorocyclopentyl]methyl]-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione
CID 58187330
7-methylidene-4-(5,5,5-trifluoropentyl)-8H-pyrano[3,2-c]pyridine-2,5-dione
CID 58187480
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-[2-(3,3-difluorocyclobutyl)ethyl]-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione
CID 58187661
4-(5,5-difluoropent-4-enyl)-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione
CID 58187732
4-(2,2,2-trifluoroethyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317097
4-(3,3-difluoropropyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317125
4-(3,3,3-trifluoropropyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317197

Frequently Asked Questions

What is the IUPAC name of 7-methylidene-4-(2,2,2-trifluoroethyl)-8H-pyrano[3,2-c]pyridine-2,5-dione?
The IUPAC name of 7-methylidene-4-(2,2,2-trifluoroethyl)-8H-pyrano[3,2-c]pyridine-2,5-dione (CID 58187461) is 7-methylidene-4-(2,2,2-trifluoroethyl)-8H-pyrano[3,2-c]pyridine-2,5-dione.
What is the SMILES notation for 7-methylidene-4-(2,2,2-trifluoroethyl)-8H-pyrano[3,2-c]pyridine-2,5-dione?
The canonical SMILES for 7-methylidene-4-(2,2,2-trifluoroethyl)-8H-pyrano[3,2-c]pyridine-2,5-dione is C=C1Cc2oc(=O)cc(CC(F)(F)F)c2C(=O)N1.
What is the InChIKey of 7-methylidene-4-(2,2,2-trifluoroethyl)-8H-pyrano[3,2-c]pyridine-2,5-dione?
The InChIKey is JFQCGWNFXITKLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3NO3/c1-5-2-7-9(10(17)15-5)6(3-8(16)18-7)4-11(12,13)14/h3H,1-2,4H2,(H,15,17).
What are the key properties of 7-methylidene-4-(2,2,2-trifluoroethyl)-8H-pyrano[3,2-c]pyridine-2,5-dione?
7-methylidene-4-(2,2,2-trifluoroethyl)-8H-pyrano[3,2-c]pyridine-2,5-dione has a molecular weight of 259.18 g/mol, XLogP of 1.54, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methylidene-4-(2,2,2-trifluoroethyl)-8H-pyrano[3,2-c]pyridine-2,5-dione is sourced from PubChem (CID 58187461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).