1-[5-fluoro-6-(4-propan-2-ylphenoxy)-3-pyridinyl]propan-1-one

C17H18FNO2 — CID 158615225

IUPAC1-[5-fluoro-6-(4-propan-2-ylphenoxy)-3-pyridinyl]propan-1-one
SMILESCCC(=O)c1cnc(Oc2ccc(C(C)C)cc2)c(F)c1
InChIInChI=1S/C17H18FNO2/c1-4-16(20)13-9-15(18)17(19-10-13)21-14-7-5-12(6-8-14)11(2)3/h5-11H,4H2,1-3H3
InChIKeyHXHPLJHFXOGJND-UHFFFAOYSA-N
MW287.33 g/mol
LogP4.73
Rot. Bonds5

About 1-[5-fluoro-6-(4-propan-2-ylphenoxy)-3-pyridinyl]propan-1-one

1-[5-fluoro-6-(4-propan-2-ylphenoxy)-3-pyridinyl]propan-1-one (PubChem CID 158615225) has the molecular formula C17H18FNO2 and a molecular weight of 287.33 g/mol. Its IUPAC name is 1-[5-fluoro-6-(4-propan-2-ylphenoxy)-3-pyridinyl]propan-1-one.

Molecular Properties

Compound Name1-[5-fluoro-6-(4-propan-2-ylphenoxy)-3-pyridinyl]propan-1-one
PubChem CID158615225
Molecular FormulaC17H18FNO2
Molecular Weight287.33 g/mol
Exact Mass287.13
IUPAC Name1-[5-fluoro-6-(4-propan-2-ylphenoxy)-3-pyridinyl]propan-1-one
SMILESCCC(=O)c1cnc(Oc2ccc(C(C)C)cc2)c(F)c1
InChIInChI=1S/C17H18FNO2/c1-4-16(20)13-9-15(18)17(19-10-13)21-14-7-5-12(6-8-14)11(2)3/h5-11H,4H2,1-3H3
InChIKeyHXHPLJHFXOGJND-UHFFFAOYSA-N
XLogP4.73
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-fluoro-6-(4-propan-2-ylphenoxy)pyridine-3-carboxamide
CID 146305979
1-[5-fluoro-6-[4-(1,1,2,2,3,3-hexafluorobutyl)phenoxy]-3-pyridinyl]propan-1-one
CID 158413383
5-amino-6-(4-propan-2-ylphenoxy)pyridine-3-carboxylic acid
CID 81438860
CID 67929203
CID 67929203
6-(4-butan-2-ylphenoxy)-5-chloropyridine-3-carboxylic acid
CID 107664122
2-[4-[(5-chloro-3-fluoro-2-pyridinyl)oxy]phenoxy]propanoate
CID 22590912
5-fluoro-6-(4-pentylphenoxy)pyridine-3-carboxamide
CID 146305871
5-fluoro-6-(4-hexylphenoxy)pyridine-3-carboxylic acid
CID 146305775
3,5-difluoro-4-(4-propan-2-ylphenoxy)benzoic acid
CID 63460686
ethyl 6-(4-propan-2-ylphenoxy)pyridine-3-carboxylate
CID 23148939
2-[4-[(5-bromo-3-fluoro-2-pyridinyl)oxy]phenoxy]propanoic acid
CID 15592839
methyl 5-fluoro-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxylate
CID 146305884

Frequently Asked Questions

What is the IUPAC name of 1-[5-fluoro-6-(4-propan-2-ylphenoxy)-3-pyridinyl]propan-1-one?
The IUPAC name of 1-[5-fluoro-6-(4-propan-2-ylphenoxy)-3-pyridinyl]propan-1-one (CID 158615225) is 1-[5-fluoro-6-(4-propan-2-ylphenoxy)-3-pyridinyl]propan-1-one.
What is the SMILES notation for 1-[5-fluoro-6-(4-propan-2-ylphenoxy)-3-pyridinyl]propan-1-one?
The canonical SMILES for 1-[5-fluoro-6-(4-propan-2-ylphenoxy)-3-pyridinyl]propan-1-one is CCC(=O)c1cnc(Oc2ccc(C(C)C)cc2)c(F)c1.
What is the InChIKey of 1-[5-fluoro-6-(4-propan-2-ylphenoxy)-3-pyridinyl]propan-1-one?
The InChIKey is HXHPLJHFXOGJND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO2/c1-4-16(20)13-9-15(18)17(19-10-13)21-14-7-5-12(6-8-14)11(2)3/h5-11H,4H2,1-3H3.
What are the key properties of 1-[5-fluoro-6-(4-propan-2-ylphenoxy)-3-pyridinyl]propan-1-one?
1-[5-fluoro-6-(4-propan-2-ylphenoxy)-3-pyridinyl]propan-1-one has a molecular weight of 287.33 g/mol, XLogP of 4.73, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-fluoro-6-(4-propan-2-ylphenoxy)-3-pyridinyl]propan-1-one is sourced from PubChem (CID 158615225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).