1-ethyl-3-fluoro-5-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethyl]pyridin-2-one

C13H18F2N2O — CID 176690698

IUPAC1-ethyl-3-fluoro-5-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethyl]pyridin-2-one
SMILESCCn1cc(CCN2CC[C@@H](F)C2)cc(F)c1=O
InChIInChI=1S/C13H18F2N2O/c1-2-17-8-10(7-12(15)13(17)18)3-5-16-6-4-11(14)9-16/h7-8,11H,2-6,9H2,1H3/t11-/m1/s1
InChIKeyHMZGCBYCXMPWTF-LLVKDONJSA-N
MW256.30 g/mol
LogP1.59
Rot. Bonds4

About 1-ethyl-3-fluoro-5-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethyl]pyridin-2-one

1-ethyl-3-fluoro-5-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethyl]pyridin-2-one (PubChem CID 176690698) has the molecular formula C13H18F2N2O and a molecular weight of 256.30 g/mol. Its IUPAC name is 1-ethyl-3-fluoro-5-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethyl]pyridin-2-one.

Molecular Properties

Compound Name1-ethyl-3-fluoro-5-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethyl]pyridin-2-one
PubChem CID176690698
Molecular FormulaC13H18F2N2O
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name1-ethyl-3-fluoro-5-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethyl]pyridin-2-one
SMILESCCn1cc(CCN2CC[C@@H](F)C2)cc(F)c1=O
InChIInChI=1S/C13H18F2N2O/c1-2-17-8-10(7-12(15)13(17)18)3-5-16-6-4-11(14)9-16/h7-8,11H,2-6,9H2,1H3/t11-/m1/s1
InChIKeyHMZGCBYCXMPWTF-LLVKDONJSA-N
XLogP1.59
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-fluoro-5-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethyl]pyridin-2-one?
The IUPAC name of 1-ethyl-3-fluoro-5-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethyl]pyridin-2-one (CID 176690698) is 1-ethyl-3-fluoro-5-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethyl]pyridin-2-one.
What is the SMILES notation for 1-ethyl-3-fluoro-5-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethyl]pyridin-2-one?
The canonical SMILES for 1-ethyl-3-fluoro-5-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethyl]pyridin-2-one is CCn1cc(CCN2CC[C@@H](F)C2)cc(F)c1=O.
What is the InChIKey of 1-ethyl-3-fluoro-5-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethyl]pyridin-2-one?
The InChIKey is HMZGCBYCXMPWTF-LLVKDONJSA-N. The full InChI is InChI=1S/C13H18F2N2O/c1-2-17-8-10(7-12(15)13(17)18)3-5-16-6-4-11(14)9-16/h7-8,11H,2-6,9H2,1H3/t11-/m1/s1.
What are the key properties of 1-ethyl-3-fluoro-5-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethyl]pyridin-2-one?
1-ethyl-3-fluoro-5-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethyl]pyridin-2-one has a molecular weight of 256.30 g/mol, XLogP of 1.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-fluoro-5-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethyl]pyridin-2-one is sourced from PubChem (CID 176690698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).