4-(4,4-difluoropiperidin-1-yl)-1-hydroxypyrido[2,3-d]pyrimidin-2-one

C12H12F2N4O2 — CID 90645171

IUPAC4-(4,4-difluoropiperidin-1-yl)-1-hydroxypyrido[2,3-d]pyrimidin-2-one
SMILESO=c1nc(N2CCC(F)(F)CC2)c2cccnc2n1O
InChIInChI=1S/C12H12F2N4O2/c13-12(14)3-6-17(7-4-12)10-8-2-1-5-15-9(8)18(20)11(19)16-10/h1-2,5,20H,3-4,6-7H2
InChIKeyVDQWLTLUVHHVOT-UHFFFAOYSA-N
MW282.25 g/mol
LogP1.26
Rot. Bonds1

About 4-(4,4-difluoropiperidin-1-yl)-1-hydroxypyrido[2,3-d]pyrimidin-2-one

4-(4,4-difluoropiperidin-1-yl)-1-hydroxypyrido[2,3-d]pyrimidin-2-one (PubChem CID 90645171) has the molecular formula C12H12F2N4O2 and a molecular weight of 282.25 g/mol. Its IUPAC name is 4-(4,4-difluoropiperidin-1-yl)-1-hydroxypyrido[2,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name4-(4,4-difluoropiperidin-1-yl)-1-hydroxypyrido[2,3-d]pyrimidin-2-one
PubChem CID90645171
Molecular FormulaC12H12F2N4O2
Molecular Weight282.25 g/mol
Exact Mass282.09
IUPAC Name4-(4,4-difluoropiperidin-1-yl)-1-hydroxypyrido[2,3-d]pyrimidin-2-one
SMILESO=c1nc(N2CCC(F)(F)CC2)c2cccnc2n1O
InChIInChI=1S/C12H12F2N4O2/c13-12(14)3-6-17(7-4-12)10-8-2-1-5-15-9(8)18(20)11(19)16-10/h1-2,5,20H,3-4,6-7H2
InChIKeyVDQWLTLUVHHVOT-UHFFFAOYSA-N
XLogP1.26
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.25
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4,4-difluoropiperidin-1-yl)-1-hydroxypyrido[2,3-d]pyrimidin-2-one?
The IUPAC name of 4-(4,4-difluoropiperidin-1-yl)-1-hydroxypyrido[2,3-d]pyrimidin-2-one (CID 90645171) is 4-(4,4-difluoropiperidin-1-yl)-1-hydroxypyrido[2,3-d]pyrimidin-2-one.
What is the SMILES notation for 4-(4,4-difluoropiperidin-1-yl)-1-hydroxypyrido[2,3-d]pyrimidin-2-one?
The canonical SMILES for 4-(4,4-difluoropiperidin-1-yl)-1-hydroxypyrido[2,3-d]pyrimidin-2-one is O=c1nc(N2CCC(F)(F)CC2)c2cccnc2n1O.
What is the InChIKey of 4-(4,4-difluoropiperidin-1-yl)-1-hydroxypyrido[2,3-d]pyrimidin-2-one?
The InChIKey is VDQWLTLUVHHVOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N4O2/c13-12(14)3-6-17(7-4-12)10-8-2-1-5-15-9(8)18(20)11(19)16-10/h1-2,5,20H,3-4,6-7H2.
What are the key properties of 4-(4,4-difluoropiperidin-1-yl)-1-hydroxypyrido[2,3-d]pyrimidin-2-one?
4-(4,4-difluoropiperidin-1-yl)-1-hydroxypyrido[2,3-d]pyrimidin-2-one has a molecular weight of 282.25 g/mol, XLogP of 1.26, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,4-difluoropiperidin-1-yl)-1-hydroxypyrido[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 90645171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).