5-[(5-chloro-3-fluoro-2-pyridinyl)amino]-1-methylpiperidin-2-one

C11H13ClFN3O — CID 79728769

IUPAC5-[(5-chloro-3-fluoro-2-pyridinyl)amino]-1-methylpiperidin-2-one
SMILESCN1CC(Nc2ncc(Cl)cc2F)CCC1=O
InChIInChI=1S/C11H13ClFN3O/c1-16-6-8(2-3-10(16)17)15-11-9(13)4-7(12)5-14-11/h4-5,8H,2-3,6H2,1H3,(H,14,15)
InChIKeyFUOWULMLUIKEDY-UHFFFAOYSA-N
MW257.70 g/mol
LogP1.91
Rot. Bonds2

About 5-[(5-chloro-3-fluoro-2-pyridinyl)amino]-1-methylpiperidin-2-one

5-[(5-chloro-3-fluoro-2-pyridinyl)amino]-1-methylpiperidin-2-one (PubChem CID 79728769) has the molecular formula C11H13ClFN3O and a molecular weight of 257.70 g/mol. Its IUPAC name is 5-[(5-chloro-3-fluoro-2-pyridinyl)amino]-1-methylpiperidin-2-one.

Molecular Properties

Compound Name5-[(5-chloro-3-fluoro-2-pyridinyl)amino]-1-methylpiperidin-2-one
PubChem CID79728769
Molecular FormulaC11H13ClFN3O
Molecular Weight257.70 g/mol
Exact Mass257.07
IUPAC Name5-[(5-chloro-3-fluoro-2-pyridinyl)amino]-1-methylpiperidin-2-one
SMILESCN1CC(Nc2ncc(Cl)cc2F)CCC1=O
InChIInChI=1S/C11H13ClFN3O/c1-16-6-8(2-3-10(16)17)15-11-9(13)4-7(12)5-14-11/h4-5,8H,2-3,6H2,1H3,(H,14,15)
InChIKeyFUOWULMLUIKEDY-UHFFFAOYSA-N
XLogP1.91
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.70
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-chloro-3-fluoro-2-pyridinyl)amino]-1-methylpiperidin-2-one?
The IUPAC name of 5-[(5-chloro-3-fluoro-2-pyridinyl)amino]-1-methylpiperidin-2-one (CID 79728769) is 5-[(5-chloro-3-fluoro-2-pyridinyl)amino]-1-methylpiperidin-2-one.
What is the SMILES notation for 5-[(5-chloro-3-fluoro-2-pyridinyl)amino]-1-methylpiperidin-2-one?
The canonical SMILES for 5-[(5-chloro-3-fluoro-2-pyridinyl)amino]-1-methylpiperidin-2-one is CN1CC(Nc2ncc(Cl)cc2F)CCC1=O.
What is the InChIKey of 5-[(5-chloro-3-fluoro-2-pyridinyl)amino]-1-methylpiperidin-2-one?
The InChIKey is FUOWULMLUIKEDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFN3O/c1-16-6-8(2-3-10(16)17)15-11-9(13)4-7(12)5-14-11/h4-5,8H,2-3,6H2,1H3,(H,14,15).
What are the key properties of 5-[(5-chloro-3-fluoro-2-pyridinyl)amino]-1-methylpiperidin-2-one?
5-[(5-chloro-3-fluoro-2-pyridinyl)amino]-1-methylpiperidin-2-one has a molecular weight of 257.70 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-chloro-3-fluoro-2-pyridinyl)amino]-1-methylpiperidin-2-one is sourced from PubChem (CID 79728769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).