6-[1-(difluoromethyl)-2-oxo-4-pyridinyl]-4,6-diazaspiro[2.4]heptane-5,7-dione

C11H9F2N3O3 — CID 168981840

IUPAC6-[1-(difluoromethyl)-2-oxo-4-pyridinyl]-4,6-diazaspiro[2.4]heptane-5,7-dione
SMILESO=C1NC2(CC2)C(=O)N1c1ccn(C(F)F)c(=O)c1
InChIInChI=1S/C11H9F2N3O3/c12-9(13)15-4-1-6(5-7(15)17)16-8(18)11(2-3-11)14-10(16)19/h1,4-5,9H,2-3H2,(H,14,19)
InChIKeyBVGDOXYWQNMKIA-UHFFFAOYSA-N
MW269.21 g/mol
LogP0.83
Rot. Bonds2

About 6-[1-(difluoromethyl)-2-oxo-4-pyridinyl]-4,6-diazaspiro[2.4]heptane-5,7-dione

6-[1-(difluoromethyl)-2-oxo-4-pyridinyl]-4,6-diazaspiro[2.4]heptane-5,7-dione (PubChem CID 168981840) has the molecular formula C11H9F2N3O3 and a molecular weight of 269.21 g/mol. Its IUPAC name is 6-[1-(difluoromethyl)-2-oxo-4-pyridinyl]-4,6-diazaspiro[2.4]heptane-5,7-dione.

Molecular Properties

Compound Name6-[1-(difluoromethyl)-2-oxo-4-pyridinyl]-4,6-diazaspiro[2.4]heptane-5,7-dione
PubChem CID168981840
Molecular FormulaC11H9F2N3O3
Molecular Weight269.21 g/mol
Exact Mass269.06
IUPAC Name6-[1-(difluoromethyl)-2-oxo-4-pyridinyl]-4,6-diazaspiro[2.4]heptane-5,7-dione
SMILESO=C1NC2(CC2)C(=O)N1c1ccn(C(F)F)c(=O)c1
InChIInChI=1S/C11H9F2N3O3/c12-9(13)15-4-1-6(5-7(15)17)16-8(18)11(2-3-11)14-10(16)19/h1,4-5,9H,2-3H2,(H,14,19)
InChIKeyBVGDOXYWQNMKIA-UHFFFAOYSA-N
XLogP0.83
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.21
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[1-(difluoromethyl)-2-oxo-4-pyridinyl]-4,6-diazaspiro[2.4]heptane-5,7-dione?
The IUPAC name of 6-[1-(difluoromethyl)-2-oxo-4-pyridinyl]-4,6-diazaspiro[2.4]heptane-5,7-dione (CID 168981840) is 6-[1-(difluoromethyl)-2-oxo-4-pyridinyl]-4,6-diazaspiro[2.4]heptane-5,7-dione.
What is the SMILES notation for 6-[1-(difluoromethyl)-2-oxo-4-pyridinyl]-4,6-diazaspiro[2.4]heptane-5,7-dione?
The canonical SMILES for 6-[1-(difluoromethyl)-2-oxo-4-pyridinyl]-4,6-diazaspiro[2.4]heptane-5,7-dione is O=C1NC2(CC2)C(=O)N1c1ccn(C(F)F)c(=O)c1.
What is the InChIKey of 6-[1-(difluoromethyl)-2-oxo-4-pyridinyl]-4,6-diazaspiro[2.4]heptane-5,7-dione?
The InChIKey is BVGDOXYWQNMKIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F2N3O3/c12-9(13)15-4-1-6(5-7(15)17)16-8(18)11(2-3-11)14-10(16)19/h1,4-5,9H,2-3H2,(H,14,19).
What are the key properties of 6-[1-(difluoromethyl)-2-oxo-4-pyridinyl]-4,6-diazaspiro[2.4]heptane-5,7-dione?
6-[1-(difluoromethyl)-2-oxo-4-pyridinyl]-4,6-diazaspiro[2.4]heptane-5,7-dione has a molecular weight of 269.21 g/mol, XLogP of 0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(difluoromethyl)-2-oxo-4-pyridinyl]-4,6-diazaspiro[2.4]heptane-5,7-dione is sourced from PubChem (CID 168981840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).