5-chloro-2-(4,4-difluoropiperidin-1-yl)-1H-pyrimidin-6-one

C9H10ClF2N3O — CID 156726848

IUPAC5-chloro-2-(4,4-difluoropiperidin-1-yl)-1H-pyrimidin-6-one
SMILESO=c1[nH]c(N2CCC(F)(F)CC2)ncc1Cl
InChIInChI=1S/C9H10ClF2N3O/c10-6-5-13-8(14-7(6)16)15-3-1-9(11,12)2-4-15/h5H,1-4H2,(H,13,14,16)
InChIKeyHAHOLSPOGPQHPU-UHFFFAOYSA-N
MW249.65 g/mol
LogP1.66
Rot. Bonds1

About 5-chloro-2-(4,4-difluoropiperidin-1-yl)-1H-pyrimidin-6-one

5-chloro-2-(4,4-difluoropiperidin-1-yl)-1H-pyrimidin-6-one (PubChem CID 156726848) has the molecular formula C9H10ClF2N3O and a molecular weight of 249.65 g/mol. Its IUPAC name is 5-chloro-2-(4,4-difluoropiperidin-1-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-2-(4,4-difluoropiperidin-1-yl)-1H-pyrimidin-6-one
PubChem CID156726848
Molecular FormulaC9H10ClF2N3O
Molecular Weight249.65 g/mol
Exact Mass249.05
IUPAC Name5-chloro-2-(4,4-difluoropiperidin-1-yl)-1H-pyrimidin-6-one
SMILESO=c1[nH]c(N2CCC(F)(F)CC2)ncc1Cl
InChIInChI=1S/C9H10ClF2N3O/c10-6-5-13-8(14-7(6)16)15-3-1-9(11,12)2-4-15/h5H,1-4H2,(H,13,14,16)
InChIKeyHAHOLSPOGPQHPU-UHFFFAOYSA-N
XLogP1.66
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.65
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(4,4-difluoropiperidin-1-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-2-(4,4-difluoropiperidin-1-yl)-1H-pyrimidin-6-one (CID 156726848) is 5-chloro-2-(4,4-difluoropiperidin-1-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-2-(4,4-difluoropiperidin-1-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-2-(4,4-difluoropiperidin-1-yl)-1H-pyrimidin-6-one is O=c1[nH]c(N2CCC(F)(F)CC2)ncc1Cl.
What is the InChIKey of 5-chloro-2-(4,4-difluoropiperidin-1-yl)-1H-pyrimidin-6-one?
The InChIKey is HAHOLSPOGPQHPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClF2N3O/c10-6-5-13-8(14-7(6)16)15-3-1-9(11,12)2-4-15/h5H,1-4H2,(H,13,14,16).
What are the key properties of 5-chloro-2-(4,4-difluoropiperidin-1-yl)-1H-pyrimidin-6-one?
5-chloro-2-(4,4-difluoropiperidin-1-yl)-1H-pyrimidin-6-one has a molecular weight of 249.65 g/mol, XLogP of 1.66, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(4,4-difluoropiperidin-1-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 156726848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).