3-amino-1-[2-(difluoromethyl)-2-methylcyclopropyl]pyridin-2-one

C10H12F2N2O — CID 164554976

IUPAC3-amino-1-[2-(difluoromethyl)-2-methylcyclopropyl]pyridin-2-one
SMILESCC1(C(F)F)CC1n1cccc(N)c1=O
InChIInChI=1S/C10H12F2N2O/c1-10(9(11)12)5-7(10)14-4-2-3-6(13)8(14)15/h2-4,7,9H,5,13H2,1H3
InChIKeyFGYBXEWHEZYYJK-UHFFFAOYSA-N
MW214.22 g/mol
LogP1.65
Rot. Bonds2

About 3-amino-1-[2-(difluoromethyl)-2-methylcyclopropyl]pyridin-2-one

3-amino-1-[2-(difluoromethyl)-2-methylcyclopropyl]pyridin-2-one (PubChem CID 164554976) has the molecular formula C10H12F2N2O and a molecular weight of 214.22 g/mol. Its IUPAC name is 3-amino-1-[2-(difluoromethyl)-2-methylcyclopropyl]pyridin-2-one.

Molecular Properties

Compound Name3-amino-1-[2-(difluoromethyl)-2-methylcyclopropyl]pyridin-2-one
PubChem CID164554976
Molecular FormulaC10H12F2N2O
Molecular Weight214.22 g/mol
Exact Mass214.09
IUPAC Name3-amino-1-[2-(difluoromethyl)-2-methylcyclopropyl]pyridin-2-one
SMILESCC1(C(F)F)CC1n1cccc(N)c1=O
InChIInChI=1S/C10H12F2N2O/c1-10(9(11)12)5-7(10)14-4-2-3-6(13)8(14)15/h2-4,7,9H,5,13H2,1H3
InChIKeyFGYBXEWHEZYYJK-UHFFFAOYSA-N
XLogP1.65
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[2-(difluoromethyl)-2-methylcyclopropyl]pyridin-2-one?
The IUPAC name of 3-amino-1-[2-(difluoromethyl)-2-methylcyclopropyl]pyridin-2-one (CID 164554976) is 3-amino-1-[2-(difluoromethyl)-2-methylcyclopropyl]pyridin-2-one.
What is the SMILES notation for 3-amino-1-[2-(difluoromethyl)-2-methylcyclopropyl]pyridin-2-one?
The canonical SMILES for 3-amino-1-[2-(difluoromethyl)-2-methylcyclopropyl]pyridin-2-one is CC1(C(F)F)CC1n1cccc(N)c1=O.
What is the InChIKey of 3-amino-1-[2-(difluoromethyl)-2-methylcyclopropyl]pyridin-2-one?
The InChIKey is FGYBXEWHEZYYJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2O/c1-10(9(11)12)5-7(10)14-4-2-3-6(13)8(14)15/h2-4,7,9H,5,13H2,1H3.
What are the key properties of 3-amino-1-[2-(difluoromethyl)-2-methylcyclopropyl]pyridin-2-one?
3-amino-1-[2-(difluoromethyl)-2-methylcyclopropyl]pyridin-2-one has a molecular weight of 214.22 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[2-(difluoromethyl)-2-methylcyclopropyl]pyridin-2-one is sourced from PubChem (CID 164554976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).