6-chloro-6-(2,6-difluorophenyl)-5-pyridin-3-ylpiperidin-2-one

C16H13ClF2N2O — CID 142452969

IUPAC6-chloro-6-(2,6-difluorophenyl)-5-pyridin-3-ylpiperidin-2-one
SMILESO=C1CCC(c2cccnc2)C(Cl)(c2c(F)cccc2F)N1
InChIInChI=1S/C16H13ClF2N2O/c17-16(15-12(18)4-1-5-13(15)19)11(6-7-14(22)21-16)10-3-2-8-20-9-10/h1-5,8-9,11H,6-7H2,(H,21,22)
InChIKeyDLDBTHYLSMHUBY-UHFFFAOYSA-N
MW322.74 g/mol
LogP3.45
Rot. Bonds2

About 6-chloro-6-(2,6-difluorophenyl)-5-pyridin-3-ylpiperidin-2-one

6-chloro-6-(2,6-difluorophenyl)-5-pyridin-3-ylpiperidin-2-one (PubChem CID 142452969) has the molecular formula C16H13ClF2N2O and a molecular weight of 322.74 g/mol. Its IUPAC name is 6-chloro-6-(2,6-difluorophenyl)-5-pyridin-3-ylpiperidin-2-one.

Molecular Properties

Compound Name6-chloro-6-(2,6-difluorophenyl)-5-pyridin-3-ylpiperidin-2-one
PubChem CID142452969
Molecular FormulaC16H13ClF2N2O
Molecular Weight322.74 g/mol
Exact Mass322.07
IUPAC Name6-chloro-6-(2,6-difluorophenyl)-5-pyridin-3-ylpiperidin-2-one
SMILESO=C1CCC(c2cccnc2)C(Cl)(c2c(F)cccc2F)N1
InChIInChI=1S/C16H13ClF2N2O/c17-16(15-12(18)4-1-5-13(15)19)11(6-7-14(22)21-16)10-3-2-8-20-9-10/h1-5,8-9,11H,6-7H2,(H,21,22)
InChIKeyDLDBTHYLSMHUBY-UHFFFAOYSA-N
XLogP3.45
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.74
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-6-(2,6-difluorophenyl)-5-pyridin-3-ylpiperidin-2-one?
The IUPAC name of 6-chloro-6-(2,6-difluorophenyl)-5-pyridin-3-ylpiperidin-2-one (CID 142452969) is 6-chloro-6-(2,6-difluorophenyl)-5-pyridin-3-ylpiperidin-2-one.
What is the SMILES notation for 6-chloro-6-(2,6-difluorophenyl)-5-pyridin-3-ylpiperidin-2-one?
The canonical SMILES for 6-chloro-6-(2,6-difluorophenyl)-5-pyridin-3-ylpiperidin-2-one is O=C1CCC(c2cccnc2)C(Cl)(c2c(F)cccc2F)N1.
What is the InChIKey of 6-chloro-6-(2,6-difluorophenyl)-5-pyridin-3-ylpiperidin-2-one?
The InChIKey is DLDBTHYLSMHUBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClF2N2O/c17-16(15-12(18)4-1-5-13(15)19)11(6-7-14(22)21-16)10-3-2-8-20-9-10/h1-5,8-9,11H,6-7H2,(H,21,22).
What are the key properties of 6-chloro-6-(2,6-difluorophenyl)-5-pyridin-3-ylpiperidin-2-one?
6-chloro-6-(2,6-difluorophenyl)-5-pyridin-3-ylpiperidin-2-one has a molecular weight of 322.74 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-6-(2,6-difluorophenyl)-5-pyridin-3-ylpiperidin-2-one is sourced from PubChem (CID 142452969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).