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

C13H12F3NO3 — CID 58187637

IUPAC7-methylidene-4-(4,4,4-trifluorobutyl)-8H-pyrano[3,2-c]pyridine-2,5-dione
SMILESC=C1Cc2oc(=O)cc(CCCC(F)(F)F)c2C(=O)N1
InChIInChI=1S/C13H12F3NO3/c1-7-5-9-11(12(19)17-7)8(6-10(18)20-9)3-2-4-13(14,15)16/h6H,1-5H2,(H,17,19)
InChIKeyBSNJSUMEYXDZAG-UHFFFAOYSA-N
MW287.24 g/mol
LogP2.32
Rot. Bonds3

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

7-methylidene-4-(4,4,4-trifluorobutyl)-8H-pyrano[3,2-c]pyridine-2,5-dione (PubChem CID 58187637) has the molecular formula C13H12F3NO3 and a molecular weight of 287.24 g/mol. Its IUPAC name is 7-methylidene-4-(4,4,4-trifluorobutyl)-8H-pyrano[3,2-c]pyridine-2,5-dione.

Molecular Properties

Compound Name7-methylidene-4-(4,4,4-trifluorobutyl)-8H-pyrano[3,2-c]pyridine-2,5-dione
PubChem CID58187637
Molecular FormulaC13H12F3NO3
Molecular Weight287.24 g/mol
Exact Mass287.08
IUPAC Name7-methylidene-4-(4,4,4-trifluorobutyl)-8H-pyrano[3,2-c]pyridine-2,5-dione
SMILESC=C1Cc2oc(=O)cc(CCCC(F)(F)F)c2C(=O)N1
InChIInChI=1S/C13H12F3NO3/c1-7-5-9-11(12(19)17-7)8(6-10(18)20-9)3-2-4-13(14,15)16/h6H,1-5H2,(H,17,19)
InChIKeyBSNJSUMEYXDZAG-UHFFFAOYSA-N
XLogP2.32
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.24
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methylidene-4-(4,4,4-trifluorobutyl)-8H-pyrano[3,2-c]pyridine-2,5-dione?
The IUPAC name of 7-methylidene-4-(4,4,4-trifluorobutyl)-8H-pyrano[3,2-c]pyridine-2,5-dione (CID 58187637) is 7-methylidene-4-(4,4,4-trifluorobutyl)-8H-pyrano[3,2-c]pyridine-2,5-dione.
What is the SMILES notation for 7-methylidene-4-(4,4,4-trifluorobutyl)-8H-pyrano[3,2-c]pyridine-2,5-dione?
The canonical SMILES for 7-methylidene-4-(4,4,4-trifluorobutyl)-8H-pyrano[3,2-c]pyridine-2,5-dione is C=C1Cc2oc(=O)cc(CCCC(F)(F)F)c2C(=O)N1.
What is the InChIKey of 7-methylidene-4-(4,4,4-trifluorobutyl)-8H-pyrano[3,2-c]pyridine-2,5-dione?
The InChIKey is BSNJSUMEYXDZAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3NO3/c1-7-5-9-11(12(19)17-7)8(6-10(18)20-9)3-2-4-13(14,15)16/h6H,1-5H2,(H,17,19).
What are the key properties of 7-methylidene-4-(4,4,4-trifluorobutyl)-8H-pyrano[3,2-c]pyridine-2,5-dione?
7-methylidene-4-(4,4,4-trifluorobutyl)-8H-pyrano[3,2-c]pyridine-2,5-dione has a molecular weight of 287.24 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methylidene-4-(4,4,4-trifluorobutyl)-8H-pyrano[3,2-c]pyridine-2,5-dione is sourced from PubChem (CID 58187637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).