5-amino-1-[2-(2,2-difluorocyclopropyl)ethyl]pyridin-2-one

C10H12F2N2O — CID 165481318

IUPAC5-amino-1-[2-(2,2-difluorocyclopropyl)ethyl]pyridin-2-one
SMILESNc1ccc(=O)n(CCC2CC2(F)F)c1
InChIInChI=1S/C10H12F2N2O/c11-10(12)5-7(10)3-4-14-6-8(13)1-2-9(14)15/h1-2,6-7H,3-5,13H2
InChIKeyNFGULOQNUCFQSR-UHFFFAOYSA-N
MW214.22 g/mol
LogP1.48
Rot. Bonds3

About 5-amino-1-[2-(2,2-difluorocyclopropyl)ethyl]pyridin-2-one

5-amino-1-[2-(2,2-difluorocyclopropyl)ethyl]pyridin-2-one (PubChem CID 165481318) has the molecular formula C10H12F2N2O and a molecular weight of 214.22 g/mol. Its IUPAC name is 5-amino-1-[2-(2,2-difluorocyclopropyl)ethyl]pyridin-2-one.

Molecular Properties

Compound Name5-amino-1-[2-(2,2-difluorocyclopropyl)ethyl]pyridin-2-one
PubChem CID165481318
Molecular FormulaC10H12F2N2O
Molecular Weight214.22 g/mol
Exact Mass214.09
IUPAC Name5-amino-1-[2-(2,2-difluorocyclopropyl)ethyl]pyridin-2-one
SMILESNc1ccc(=O)n(CCC2CC2(F)F)c1
InChIInChI=1S/C10H12F2N2O/c11-10(12)5-7(10)3-4-14-6-8(13)1-2-9(14)15/h1-2,6-7H,3-5,13H2
InChIKeyNFGULOQNUCFQSR-UHFFFAOYSA-N
XLogP1.48
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[2-(2,2-difluorocyclopropyl)ethyl]pyridin-2-one?
The IUPAC name of 5-amino-1-[2-(2,2-difluorocyclopropyl)ethyl]pyridin-2-one (CID 165481318) is 5-amino-1-[2-(2,2-difluorocyclopropyl)ethyl]pyridin-2-one.
What is the SMILES notation for 5-amino-1-[2-(2,2-difluorocyclopropyl)ethyl]pyridin-2-one?
The canonical SMILES for 5-amino-1-[2-(2,2-difluorocyclopropyl)ethyl]pyridin-2-one is Nc1ccc(=O)n(CCC2CC2(F)F)c1.
What is the InChIKey of 5-amino-1-[2-(2,2-difluorocyclopropyl)ethyl]pyridin-2-one?
The InChIKey is NFGULOQNUCFQSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2O/c11-10(12)5-7(10)3-4-14-6-8(13)1-2-9(14)15/h1-2,6-7H,3-5,13H2.
What are the key properties of 5-amino-1-[2-(2,2-difluorocyclopropyl)ethyl]pyridin-2-one?
5-amino-1-[2-(2,2-difluorocyclopropyl)ethyl]pyridin-2-one has a molecular weight of 214.22 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[2-(2,2-difluorocyclopropyl)ethyl]pyridin-2-one is sourced from PubChem (CID 165481318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).