1-[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]ethanone

C11H12F2N2O — CID 170405395

IUPAC1-[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]ethanone
SMILESCC(=O)c1ccc(N2CCC(F)(F)C2)nc1
InChIInChI=1S/C11H12F2N2O/c1-8(16)9-2-3-10(14-6-9)15-5-4-11(12,13)7-15/h2-3,6H,4-5,7H2,1H3
InChIKeyXMJMODZVWAWRGA-UHFFFAOYSA-N
MW226.23 g/mol
LogP2.13
Rot. Bonds2

About 1-[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]ethanone

1-[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]ethanone (PubChem CID 170405395) has the molecular formula C11H12F2N2O and a molecular weight of 226.23 g/mol. Its IUPAC name is 1-[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]ethanone
PubChem CID170405395
Molecular FormulaC11H12F2N2O
Molecular Weight226.23 g/mol
Exact Mass226.09
IUPAC Name1-[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]ethanone
SMILESCC(=O)c1ccc(N2CCC(F)(F)C2)nc1
InChIInChI=1S/C11H12F2N2O/c1-8(16)9-2-3-10(14-6-9)15-5-4-11(12,13)7-15/h2-3,6H,4-5,7H2,1H3
InChIKeyXMJMODZVWAWRGA-UHFFFAOYSA-N
XLogP2.13
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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BI-RJ 70
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N-[(3S)-1-[6-(tert-butylamino)pyridine-3-carbonyl]pyrrolidin-3-yl]-3,3-difluoro-N-methylcyclobutane-1-carboxamide
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2,2,2-Trifluoro-1-(pyridin-3-yl)ethan-1-one
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6-(Cyclopentylamino)pyridine-3-Carboxamide
CID 112722808
6-(Benzylamino)pyridine-3-carboxamide
CID 3031427
8,9,10,11-tetrahydropyrido[2',3':4,5]pyrimido[1,2-a]azepin-5(7H)-one
CID 1472978
2-Phenyl-1,8-naphthyridin-4-ol
CID 377427
2-m-Tolyl-1H-[1,8]naphthyridin-4-one
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2-Propylamino-nicotinamide
CID 651580

Frequently Asked Questions

What is the IUPAC name of 1-[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]ethanone?
The IUPAC name of 1-[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]ethanone (CID 170405395) is 1-[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]ethanone.
What is the SMILES notation for 1-[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]ethanone?
The canonical SMILES for 1-[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]ethanone is CC(=O)c1ccc(N2CCC(F)(F)C2)nc1.
What is the InChIKey of 1-[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]ethanone?
The InChIKey is XMJMODZVWAWRGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N2O/c1-8(16)9-2-3-10(14-6-9)15-5-4-11(12,13)7-15/h2-3,6H,4-5,7H2,1H3.
What are the key properties of 1-[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]ethanone?
1-[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]ethanone has a molecular weight of 226.23 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(3,3-difluoropyrrolidin-1-yl)-3-pyridinyl]ethanone is sourced from PubChem (CID 170405395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).