1-[5-cyclopropyl-6-(2,2-difluoroethoxy)-3-pyridinyl]propan-1-one

C13H15F2NO2 — CID 174687394

IUPAC1-[5-cyclopropyl-6-(2,2-difluoroethoxy)-3-pyridinyl]propan-1-one
SMILESCCC(=O)c1cnc(OCC(F)F)c(C2CC2)c1
InChIInChI=1S/C13H15F2NO2/c1-2-11(17)9-5-10(8-3-4-8)13(16-6-9)18-7-12(14)15/h5-6,8,12H,2-4,7H2,1H3
InChIKeyCNXPJEJUOHMVFL-UHFFFAOYSA-N
MW255.26 g/mol
LogP3.20
Rot. Bonds6

About 1-[5-cyclopropyl-6-(2,2-difluoroethoxy)-3-pyridinyl]propan-1-one

1-[5-cyclopropyl-6-(2,2-difluoroethoxy)-3-pyridinyl]propan-1-one (PubChem CID 174687394) has the molecular formula C13H15F2NO2 and a molecular weight of 255.26 g/mol. Its IUPAC name is 1-[5-cyclopropyl-6-(2,2-difluoroethoxy)-3-pyridinyl]propan-1-one.

Molecular Properties

Compound Name1-[5-cyclopropyl-6-(2,2-difluoroethoxy)-3-pyridinyl]propan-1-one
PubChem CID174687394
Molecular FormulaC13H15F2NO2
Molecular Weight255.26 g/mol
Exact Mass255.11
IUPAC Name1-[5-cyclopropyl-6-(2,2-difluoroethoxy)-3-pyridinyl]propan-1-one
SMILESCCC(=O)c1cnc(OCC(F)F)c(C2CC2)c1
InChIInChI=1S/C13H15F2NO2/c1-2-11(17)9-5-10(8-3-4-8)13(16-6-9)18-7-12(14)15/h5-6,8,12H,2-4,7H2,1H3
InChIKeyCNXPJEJUOHMVFL-UHFFFAOYSA-N
XLogP3.20
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.26
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-acetamido-N-[[5-cyclopropyl-6-(2,2-difluoroethoxy)-3-pyridinyl]methyl]pyridine-4-carboxamide
CID 87426751
N-[1-[5-cyclopropyl-6-(2,2-difluoroethoxy)-3-pyridinyl]ethyl]-2-(2-cyclopropyl-2-oxoethyl)-6-methylpyridine-4-carboxamide
CID 160650690
N-[1-[5-cyclopropyl-6-(2,2-difluoroethoxy)-3-pyridinyl]ethyl]-2-(propanoylamino)-1H-pyrazine-2-carboxamide
CID 150403985
N-[1-[5-cyclopropyl-6-(2,2-difluoroethoxy)-3-pyridinyl]ethyl]-2-methyl-6-(2-methylpropanoylamino)pyridine-4-carboxamide
CID 87426669
1-[4-(2,2-difluoroethoxy)-3,5-difluorophenyl]propan-1-one
CID 174811184
3-cyclopropyl-7-propanoyl-1H-1,5-naphthyridin-2-one
CID 171509912
5-cyclopropyl-N-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 71294351
6-cyclobutyloxy-5-cyclopropylpyridine-3-carboxylic acid
CID 89444053
5-cyclopropyl-6-(oxan-4-yloxy)pyridine-3-carboxylic acid
CID 118394075
1-[5-fluoro-6-(4-propan-2-ylphenoxy)-3-pyridinyl]propan-1-one
CID 158615225
[(3aR,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[5-cyclopropyl-6-(oxan-4-ylmethoxy)-3-pyridinyl]methanone
CID 175741648
2H-benzotriazol-5-yl-[5-[5-cyclopropyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carbonyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]methanone
CID 139458758

Frequently Asked Questions

What is the IUPAC name of 1-[5-cyclopropyl-6-(2,2-difluoroethoxy)-3-pyridinyl]propan-1-one?
The IUPAC name of 1-[5-cyclopropyl-6-(2,2-difluoroethoxy)-3-pyridinyl]propan-1-one (CID 174687394) is 1-[5-cyclopropyl-6-(2,2-difluoroethoxy)-3-pyridinyl]propan-1-one.
What is the SMILES notation for 1-[5-cyclopropyl-6-(2,2-difluoroethoxy)-3-pyridinyl]propan-1-one?
The canonical SMILES for 1-[5-cyclopropyl-6-(2,2-difluoroethoxy)-3-pyridinyl]propan-1-one is CCC(=O)c1cnc(OCC(F)F)c(C2CC2)c1.
What is the InChIKey of 1-[5-cyclopropyl-6-(2,2-difluoroethoxy)-3-pyridinyl]propan-1-one?
The InChIKey is CNXPJEJUOHMVFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2NO2/c1-2-11(17)9-5-10(8-3-4-8)13(16-6-9)18-7-12(14)15/h5-6,8,12H,2-4,7H2,1H3.
What are the key properties of 1-[5-cyclopropyl-6-(2,2-difluoroethoxy)-3-pyridinyl]propan-1-one?
1-[5-cyclopropyl-6-(2,2-difluoroethoxy)-3-pyridinyl]propan-1-one has a molecular weight of 255.26 g/mol, XLogP of 3.20, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-cyclopropyl-6-(2,2-difluoroethoxy)-3-pyridinyl]propan-1-one is sourced from PubChem (CID 174687394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).