1-(3-fluoro-4-pyridinyl)-4-methoxybutan-1-one

C10H12FNO2 — CID 104737858

IUPAC1-(3-fluoro-4-pyridinyl)-4-methoxybutan-1-one
SMILESCOCCCC(=O)c1ccncc1F
InChIInChI=1S/C10H12FNO2/c1-14-6-2-3-10(13)8-4-5-12-7-9(8)11/h4-5,7H,2-3,6H2,1H3
InChIKeyWLBKEEFKYCNHIW-UHFFFAOYSA-N
MW197.21 g/mol
LogP1.83
Rot. Bonds5

About 1-(3-fluoro-4-pyridinyl)-4-methoxybutan-1-one

1-(3-fluoro-4-pyridinyl)-4-methoxybutan-1-one (PubChem CID 104737858) has the molecular formula C10H12FNO2 and a molecular weight of 197.21 g/mol. Its IUPAC name is 1-(3-fluoro-4-pyridinyl)-4-methoxybutan-1-one.

Molecular Properties

Compound Name1-(3-fluoro-4-pyridinyl)-4-methoxybutan-1-one
PubChem CID104737858
Molecular FormulaC10H12FNO2
Molecular Weight197.21 g/mol
Exact Mass197.09
IUPAC Name1-(3-fluoro-4-pyridinyl)-4-methoxybutan-1-one
SMILESCOCCCC(=O)c1ccncc1F
InChIInChI=1S/C10H12FNO2/c1-14-6-2-3-10(13)8-4-5-12-7-9(8)11/h4-5,7H,2-3,6H2,1H3
InChIKeyWLBKEEFKYCNHIW-UHFFFAOYSA-N
XLogP1.83
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.21
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-amino-3-pyridinyl)-4-methoxybutan-1-one
CID 65094552
2-[2-(2-methoxyethoxy)ethoxy]ethyl 3-fluoropyridine-4-carboxylate
CID 105076040
4-methoxy-1-(2,3,4-trifluorophenyl)butan-1-one
CID 65092549
4-methoxy-1-pyrazin-2-ylbutan-1-one
CID 62620232
methyl 2-(3-fluoro-4-pyridinyl)-2-oxoacetate
CID 146160461
3-fluoro-N-(2-methoxyethyl)-N-(2-methylpropyl)pyridine-4-carboxamide
CID 113240831
N-(4-bromo-1-methoxybutan-2-yl)-3-fluoropyridine-4-carboxamide
CID 106155981
3-(4-methoxybutoxy)pyridine-4-carboxylic acid
CID 104646814
1-(3,4-difluorophenyl)-4-methoxybutan-1-one
CID 62622615
3-amino-1-(3-fluoro-4-pyridinyl)pentan-1-one
CID 116609051
N-(1-cyclopropylethyl)-3-fluoro-N-(2-methoxyethyl)pyridine-4-carboxamide
CID 115645950
3-fluoro-N,N-dimethylpyridine-4-carboxamide
CID 64950687

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-pyridinyl)-4-methoxybutan-1-one?
The IUPAC name of 1-(3-fluoro-4-pyridinyl)-4-methoxybutan-1-one (CID 104737858) is 1-(3-fluoro-4-pyridinyl)-4-methoxybutan-1-one.
What is the SMILES notation for 1-(3-fluoro-4-pyridinyl)-4-methoxybutan-1-one?
The canonical SMILES for 1-(3-fluoro-4-pyridinyl)-4-methoxybutan-1-one is COCCCC(=O)c1ccncc1F.
What is the InChIKey of 1-(3-fluoro-4-pyridinyl)-4-methoxybutan-1-one?
The InChIKey is WLBKEEFKYCNHIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO2/c1-14-6-2-3-10(13)8-4-5-12-7-9(8)11/h4-5,7H,2-3,6H2,1H3.
What are the key properties of 1-(3-fluoro-4-pyridinyl)-4-methoxybutan-1-one?
1-(3-fluoro-4-pyridinyl)-4-methoxybutan-1-one has a molecular weight of 197.21 g/mol, XLogP of 1.83, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-pyridinyl)-4-methoxybutan-1-one is sourced from PubChem (CID 104737858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).