2-(6-fluoro-3-pyridinyl)piperidin-4-one

C10H11FN2O — CID 82401375

IUPAC2-(6-fluoro-3-pyridinyl)piperidin-4-one
SMILESO=C1CCNC(c2ccc(F)nc2)C1
InChIInChI=1S/C10H11FN2O/c11-10-2-1-7(6-13-10)9-5-8(14)3-4-12-9/h1-2,6,9,12H,3-5H2
InChIKeyKMZYBICGPRFYCW-UHFFFAOYSA-N
MW194.21 g/mol
LogP1.21
Rot. Bonds1

About 2-(6-fluoro-3-pyridinyl)piperidin-4-one

2-(6-fluoro-3-pyridinyl)piperidin-4-one (PubChem CID 82401375) has the molecular formula C10H11FN2O and a molecular weight of 194.21 g/mol. Its IUPAC name is 2-(6-fluoro-3-pyridinyl)piperidin-4-one.

Molecular Properties

Compound Name2-(6-fluoro-3-pyridinyl)piperidin-4-one
PubChem CID82401375
Molecular FormulaC10H11FN2O
Molecular Weight194.21 g/mol
Exact Mass194.09
IUPAC Name2-(6-fluoro-3-pyridinyl)piperidin-4-one
SMILESO=C1CCNC(c2ccc(F)nc2)C1
InChIInChI=1S/C10H11FN2O/c11-10-2-1-7(6-13-10)9-5-8(14)3-4-12-9/h1-2,6,9,12H,3-5H2
InChIKeyKMZYBICGPRFYCW-UHFFFAOYSA-N
XLogP1.21
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.21
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-5-[(2S)-piperidin-2-yl]pyridine
CID 55277900
(2R)-2-phenylpiperidin-4-one
CID 86319056
2-(6-methyl-2-pyridinyl)piperidin-4-one
CID 82403926
2-(1,3-oxazol-4-yl)piperidin-4-one
CID 82414305
2-(6-fluoro-3-pyridinyl)cyclohexan-1-one
CID 130040579
(4R)-4-(6-fluoro-3-pyridinyl)-1-methylpyrrolidin-2-one
CID 125488924
3-(6-fluoro-3-pyridinyl)-1,2-oxazolidine
CID 129188732
2-(2-hydroxyphenyl)piperidin-4-one
CID 75982706
2-[2-(trifluoromethyl)phenyl]piperidin-4-one
CID 75982795
2-fluoro-5-piperidin-3-ylpyridine
CID 24904338
2-(3-methoxyimidazo[1,2-b]pyridazin-6-yl)piperidin-4-one
CID 82384508
2-[3-(trifluoromethyl)thiophen-2-yl]piperidin-4-one
CID 82383175

Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-3-pyridinyl)piperidin-4-one?
The IUPAC name of 2-(6-fluoro-3-pyridinyl)piperidin-4-one (CID 82401375) is 2-(6-fluoro-3-pyridinyl)piperidin-4-one.
What is the SMILES notation for 2-(6-fluoro-3-pyridinyl)piperidin-4-one?
The canonical SMILES for 2-(6-fluoro-3-pyridinyl)piperidin-4-one is O=C1CCNC(c2ccc(F)nc2)C1.
What is the InChIKey of 2-(6-fluoro-3-pyridinyl)piperidin-4-one?
The InChIKey is KMZYBICGPRFYCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2O/c11-10-2-1-7(6-13-10)9-5-8(14)3-4-12-9/h1-2,6,9,12H,3-5H2.
What are the key properties of 2-(6-fluoro-3-pyridinyl)piperidin-4-one?
2-(6-fluoro-3-pyridinyl)piperidin-4-one has a molecular weight of 194.21 g/mol, XLogP of 1.21, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-3-pyridinyl)piperidin-4-one is sourced from PubChem (CID 82401375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).