1-(3,5-difluoro-2-pyridinyl)piperidin-3-one

C10H10F2N2O — CID 112675461

IUPAC1-(3,5-difluoro-2-pyridinyl)piperidin-3-one
SMILESO=C1CCCN(c2ncc(F)cc2F)C1
InChIInChI=1S/C10H10F2N2O/c11-7-4-9(12)10(13-5-7)14-3-1-2-8(15)6-14/h4-5H,1-3,6H2
InChIKeyXYRVZCPIXCOSTJ-UHFFFAOYSA-N
MW212.20 g/mol
LogP1.53
Rot. Bonds1

About 1-(3,5-difluoro-2-pyridinyl)piperidin-3-one

1-(3,5-difluoro-2-pyridinyl)piperidin-3-one (PubChem CID 112675461) has the molecular formula C10H10F2N2O and a molecular weight of 212.20 g/mol. Its IUPAC name is 1-(3,5-difluoro-2-pyridinyl)piperidin-3-one.

Molecular Properties

Compound Name1-(3,5-difluoro-2-pyridinyl)piperidin-3-one
PubChem CID112675461
Molecular FormulaC10H10F2N2O
Molecular Weight212.20 g/mol
Exact Mass212.08
IUPAC Name1-(3,5-difluoro-2-pyridinyl)piperidin-3-one
SMILESO=C1CCCN(c2ncc(F)cc2F)C1
InChIInChI=1S/C10H10F2N2O/c11-7-4-9(12)10(13-5-7)14-3-1-2-8(15)6-14/h4-5H,1-3,6H2
InChIKeyXYRVZCPIXCOSTJ-UHFFFAOYSA-N
XLogP1.53
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(Pyridin-2-yl)piperidin-4-one
CID 18348391
1-(6-Fluoropyridin-2-yl)piperidin-4-one
CID 1486289
4-(3-Fluoropyridin-2-yl)-1-methylpiperazin-2-one
CID 126776361
(Z)-1,1,1-trifluoro-4-(4-pyridin-2-ylpiperazin-1-yl)pent-3-en-2-one
CID 8109830
1-(4'-Pyridyl)-4-pyridone
CID 67418929
1-(5-Trifluoromethyl-pyridin-2-yl)-piperidine-4-one
CID 11959632
1-(3-(Trifluoromethyl)pyridin-2-YL)piperidin-4-one
CID 21904751
1-(3,5-Difluoropyridin-2-yl)piperazine
CID 45116414
5-Fluoro-2-(piperidin-1-yl)pyridine
CID 53256678
1-(3-fluoro-2-pyridinyl)-2H-pyrazine
CID 57069944
1-(5-Fluoro-3-methyl-2-pyridinyl)piperidine-4-carboxamide
CID 57960007
2-[4-(5-Fluoro-3-methyl-2-pyridinyl)piperazin-1-yl]acetamide
CID 57960131

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluoro-2-pyridinyl)piperidin-3-one?
The IUPAC name of 1-(3,5-difluoro-2-pyridinyl)piperidin-3-one (CID 112675461) is 1-(3,5-difluoro-2-pyridinyl)piperidin-3-one.
What is the SMILES notation for 1-(3,5-difluoro-2-pyridinyl)piperidin-3-one?
The canonical SMILES for 1-(3,5-difluoro-2-pyridinyl)piperidin-3-one is O=C1CCCN(c2ncc(F)cc2F)C1.
What is the InChIKey of 1-(3,5-difluoro-2-pyridinyl)piperidin-3-one?
The InChIKey is XYRVZCPIXCOSTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2N2O/c11-7-4-9(12)10(13-5-7)14-3-1-2-8(15)6-14/h4-5H,1-3,6H2.
What are the key properties of 1-(3,5-difluoro-2-pyridinyl)piperidin-3-one?
1-(3,5-difluoro-2-pyridinyl)piperidin-3-one has a molecular weight of 212.20 g/mol, XLogP of 1.53, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluoro-2-pyridinyl)piperidin-3-one is sourced from PubChem (CID 112675461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).