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

C14H13F2NO3 — CID 58187732

IUPAC4-(5,5-difluoropent-4-enyl)-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione
SMILESC=C1Cc2oc(=O)cc(CCCC=C(F)F)c2C(=O)N1
InChIInChI=1S/C14H13F2NO3/c1-8-6-10-13(14(19)17-8)9(7-12(18)20-10)4-2-3-5-11(15)16/h5,7H,1-4,6H2,(H,17,19)
InChIKeyQGJZRWAQTSPZQO-UHFFFAOYSA-N
MW281.26 g/mol
LogP2.54
Rot. Bonds4

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

4-(5,5-difluoropent-4-enyl)-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione (PubChem CID 58187732) has the molecular formula C14H13F2NO3 and a molecular weight of 281.26 g/mol. Its IUPAC name is 4-(5,5-difluoropent-4-enyl)-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione.

Molecular Properties

Compound Name4-(5,5-difluoropent-4-enyl)-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione
PubChem CID58187732
Molecular FormulaC14H13F2NO3
Molecular Weight281.26 g/mol
Exact Mass281.09
IUPAC Name4-(5,5-difluoropent-4-enyl)-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione
SMILESC=C1Cc2oc(=O)cc(CCCC=C(F)F)c2C(=O)N1
InChIInChI=1S/C14H13F2NO3/c1-8-6-10-13(14(19)17-8)9(7-12(18)20-10)4-2-3-5-11(15)16/h5,7H,1-4,6H2,(H,17,19)
InChIKeyQGJZRWAQTSPZQO-UHFFFAOYSA-N
XLogP2.54
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.26
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(5,5-difluoropent-4-enyl)-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione with MolForge

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Related Compounds

7-methylidene-4-(4,4,4-trifluorobutyl)-8H-pyrano[3,2-c]pyridine-2,5-dione
CID 58187637
4-hexyl-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione
CID 58187698
4-pent-4-enyl-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317151
4-[3-(1-cyclopropylcyclopropyl)propyl]-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione
CID 58187602
7-methylidene-4-(2,2,2-trifluoroethyl)-8H-pyrano[3,2-c]pyridine-2,5-dione
CID 58187461
4-(3-ethylpentyl)-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione
CID 58187460
4-(2-cyclopentylethyl)-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione
CID 58187488
4-(5,5-difluoropentyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317155
4-[3-(1-cyclopropylcyclopropyl)propyl]-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317224
4-(3-cyclohexyloxypropyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317010
4-(2,2,2-trifluoroethyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58317097
4-(cyclohexylmethyl)-8H-pyrano[3,2-c]pyridine-2,5,7-trione
CID 58187702

Frequently Asked Questions

What is the IUPAC name of 4-(5,5-difluoropent-4-enyl)-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione?
The IUPAC name of 4-(5,5-difluoropent-4-enyl)-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione (CID 58187732) is 4-(5,5-difluoropent-4-enyl)-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione.
What is the SMILES notation for 4-(5,5-difluoropent-4-enyl)-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione?
The canonical SMILES for 4-(5,5-difluoropent-4-enyl)-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione is C=C1Cc2oc(=O)cc(CCCC=C(F)F)c2C(=O)N1.
What is the InChIKey of 4-(5,5-difluoropent-4-enyl)-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione?
The InChIKey is QGJZRWAQTSPZQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2NO3/c1-8-6-10-13(14(19)17-8)9(7-12(18)20-10)4-2-3-5-11(15)16/h5,7H,1-4,6H2,(H,17,19).
What are the key properties of 4-(5,5-difluoropent-4-enyl)-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione?
4-(5,5-difluoropent-4-enyl)-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione has a molecular weight of 281.26 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,5-difluoropent-4-enyl)-7-methylidene-8H-pyrano[3,2-c]pyridine-2,5-dione is sourced from PubChem (CID 58187732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).