1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-one

C11H10ClF3N2O — CID 2779004

IUPAC1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-one
SMILESO=C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1
InChIInChI=1S/C11H10ClF3N2O/c12-9-5-7(11(13,14)15)6-16-10(9)17-3-1-8(18)2-4-17/h5-6H,1-4H2
InChIKeyMFRXLIMSOSAADJ-UHFFFAOYSA-N
MW278.66 g/mol
LogP2.92
Rot. Bonds1

About 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-one

1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-one (PubChem CID 2779004) has the molecular formula C11H10ClF3N2O and a molecular weight of 278.66 g/mol. Its IUPAC name is 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-one.

Molecular Properties

Compound Name1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-one
PubChem CID2779004
Molecular FormulaC11H10ClF3N2O
Molecular Weight278.66 g/mol
Exact Mass278.04
IUPAC Name1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-one
SMILESO=C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1
InChIInChI=1S/C11H10ClF3N2O/c12-9-5-7(11(13,14)15)6-16-10(9)17-3-1-8(18)2-4-17/h5-6H,1-4H2
InChIKeyMFRXLIMSOSAADJ-UHFFFAOYSA-N
XLogP2.92
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.66
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-one?
The IUPAC name of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-one (CID 2779004) is 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-one.
What is the SMILES notation for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-one?
The canonical SMILES for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-one is O=C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1.
What is the InChIKey of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-one?
The InChIKey is MFRXLIMSOSAADJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClF3N2O/c12-9-5-7(11(13,14)15)6-16-10(9)17-3-1-8(18)2-4-17/h5-6H,1-4H2.
What are the key properties of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-one?
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-one has a molecular weight of 278.66 g/mol, XLogP of 2.92, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-one is sourced from PubChem (CID 2779004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).