3-bromo-5-(4,4-difluoropiperidin-3-yl)-1H-pyridin-2-one

C10H11BrF2N2O — CID 164734519

IUPAC3-bromo-5-(4,4-difluoropiperidin-3-yl)-1H-pyridin-2-one
SMILESO=c1[nH]cc(C2CNCCC2(F)F)cc1Br
InChIInChI=1S/C10H11BrF2N2O/c11-8-3-6(4-15-9(8)16)7-5-14-2-1-10(7,12)13/h3-4,7,14H,1-2,5H2,(H,15,16)
InChIKeyMULRKIOQCIBZED-UHFFFAOYSA-N
MW293.11 g/mol
LogP1.85
Rot. Bonds1

About 3-bromo-5-(4,4-difluoropiperidin-3-yl)-1H-pyridin-2-one

3-bromo-5-(4,4-difluoropiperidin-3-yl)-1H-pyridin-2-one (PubChem CID 164734519) has the molecular formula C10H11BrF2N2O and a molecular weight of 293.11 g/mol. Its IUPAC name is 3-bromo-5-(4,4-difluoropiperidin-3-yl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-bromo-5-(4,4-difluoropiperidin-3-yl)-1H-pyridin-2-one
PubChem CID164734519
Molecular FormulaC10H11BrF2N2O
Molecular Weight293.11 g/mol
Exact Mass292.00
IUPAC Name3-bromo-5-(4,4-difluoropiperidin-3-yl)-1H-pyridin-2-one
SMILESO=c1[nH]cc(C2CNCCC2(F)F)cc1Br
InChIInChI=1S/C10H11BrF2N2O/c11-8-3-6(4-15-9(8)16)7-5-14-2-1-10(7,12)13/h3-4,7,14H,1-2,5H2,(H,15,16)
InChIKeyMULRKIOQCIBZED-UHFFFAOYSA-N
XLogP1.85
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.11
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(4,4-difluoropiperidin-3-yl)-1H-pyridin-2-one?
The IUPAC name of 3-bromo-5-(4,4-difluoropiperidin-3-yl)-1H-pyridin-2-one (CID 164734519) is 3-bromo-5-(4,4-difluoropiperidin-3-yl)-1H-pyridin-2-one.
What is the SMILES notation for 3-bromo-5-(4,4-difluoropiperidin-3-yl)-1H-pyridin-2-one?
The canonical SMILES for 3-bromo-5-(4,4-difluoropiperidin-3-yl)-1H-pyridin-2-one is O=c1[nH]cc(C2CNCCC2(F)F)cc1Br.
What is the InChIKey of 3-bromo-5-(4,4-difluoropiperidin-3-yl)-1H-pyridin-2-one?
The InChIKey is MULRKIOQCIBZED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrF2N2O/c11-8-3-6(4-15-9(8)16)7-5-14-2-1-10(7,12)13/h3-4,7,14H,1-2,5H2,(H,15,16).
What are the key properties of 3-bromo-5-(4,4-difluoropiperidin-3-yl)-1H-pyridin-2-one?
3-bromo-5-(4,4-difluoropiperidin-3-yl)-1H-pyridin-2-one has a molecular weight of 293.11 g/mol, XLogP of 1.85, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(4,4-difluoropiperidin-3-yl)-1H-pyridin-2-one is sourced from PubChem (CID 164734519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).