1-(2-ethoxy-3-fluoro-4-pyridinyl)-3-(2-methoxyethoxy)propan-1-one

C13H18FNO4 — CID 114270335

IUPAC1-(2-ethoxy-3-fluoro-4-pyridinyl)-3-(2-methoxyethoxy)propan-1-one
SMILESCCOc1nccc(C(=O)CCOCCOC)c1F
InChIInChI=1S/C13H18FNO4/c1-3-19-13-12(14)10(4-6-15-13)11(16)5-7-18-9-8-17-2/h4,6H,3,5,7-9H2,1-2H3
InChIKeyURBCGHNZYFJTRI-UHFFFAOYSA-N
MW271.29 g/mol
LogP1.86
Rot. Bonds9

About 1-(2-ethoxy-3-fluoro-4-pyridinyl)-3-(2-methoxyethoxy)propan-1-one

1-(2-ethoxy-3-fluoro-4-pyridinyl)-3-(2-methoxyethoxy)propan-1-one (PubChem CID 114270335) has the molecular formula C13H18FNO4 and a molecular weight of 271.29 g/mol. Its IUPAC name is 1-(2-ethoxy-3-fluoro-4-pyridinyl)-3-(2-methoxyethoxy)propan-1-one.

Molecular Properties

Compound Name1-(2-ethoxy-3-fluoro-4-pyridinyl)-3-(2-methoxyethoxy)propan-1-one
PubChem CID114270335
Molecular FormulaC13H18FNO4
Molecular Weight271.29 g/mol
Exact Mass271.12
IUPAC Name1-(2-ethoxy-3-fluoro-4-pyridinyl)-3-(2-methoxyethoxy)propan-1-one
SMILESCCOc1nccc(C(=O)CCOCCOC)c1F
InChIInChI=1S/C13H18FNO4/c1-3-19-13-12(14)10(4-6-15-13)11(16)5-7-18-9-8-17-2/h4,6H,3,5,7-9H2,1-2H3
InChIKeyURBCGHNZYFJTRI-UHFFFAOYSA-N
XLogP1.86
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.29
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2-ethoxy-3-fluoro-4-pyridinyl)-(2-methyl-4-pyridinyl)methanone
CID 114270645
[3-fluoro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-4-pyridinyl]methanamine
CID 105391741
2-ethoxy-3-fluoro-4-methylpyridine
CID 88977176
1-(2,3-dimethylphenyl)-3-(2-methoxyethoxy)propan-1-one
CID 102927472
3-fluoro-2-[4-(2-methoxyethyl)phenoxy]pyridine-4-carboxylic acid
CID 105379997
1-(2,6-difluorophenyl)-3-(2-methoxyethoxy)propan-1-one
CID 102927411
N-[[3-fluoro-2-[2-(2-methoxyethoxy)ethoxy]-4-pyridinyl]methyl]propan-1-amine
CID 105391746
3-(2-methoxyethoxy)-1-naphthalen-1-ylpropan-1-one
CID 113236326
1-(5-bromo-2-ethoxyphenyl)-3-methoxypropan-1-one
CID 82051145
3-(2-ethoxy-3-fluoro-4-pyridinyl)-N-(2-methoxyethyl)propan-1-amine
CID 114270472
1-(5-fluoro-2-methoxyphenyl)-3-propoxypropan-1-one
CID 105125146
3-ethoxy-1-pyridin-4-ylpropan-1-one
CID 114997236

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxy-3-fluoro-4-pyridinyl)-3-(2-methoxyethoxy)propan-1-one?
The IUPAC name of 1-(2-ethoxy-3-fluoro-4-pyridinyl)-3-(2-methoxyethoxy)propan-1-one (CID 114270335) is 1-(2-ethoxy-3-fluoro-4-pyridinyl)-3-(2-methoxyethoxy)propan-1-one.
What is the SMILES notation for 1-(2-ethoxy-3-fluoro-4-pyridinyl)-3-(2-methoxyethoxy)propan-1-one?
The canonical SMILES for 1-(2-ethoxy-3-fluoro-4-pyridinyl)-3-(2-methoxyethoxy)propan-1-one is CCOc1nccc(C(=O)CCOCCOC)c1F.
What is the InChIKey of 1-(2-ethoxy-3-fluoro-4-pyridinyl)-3-(2-methoxyethoxy)propan-1-one?
The InChIKey is URBCGHNZYFJTRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO4/c1-3-19-13-12(14)10(4-6-15-13)11(16)5-7-18-9-8-17-2/h4,6H,3,5,7-9H2,1-2H3.
What are the key properties of 1-(2-ethoxy-3-fluoro-4-pyridinyl)-3-(2-methoxyethoxy)propan-1-one?
1-(2-ethoxy-3-fluoro-4-pyridinyl)-3-(2-methoxyethoxy)propan-1-one has a molecular weight of 271.29 g/mol, XLogP of 1.86, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxy-3-fluoro-4-pyridinyl)-3-(2-methoxyethoxy)propan-1-one is sourced from PubChem (CID 114270335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).