4-butoxy-1-[(3-fluorophenyl)methyl]pyridin-2-one

C16H18FNO2 — CID 70949893

IUPAC4-butoxy-1-[(3-fluorophenyl)methyl]pyridin-2-one
SMILESCCCCOc1ccn(Cc2cccc(F)c2)c(=O)c1
InChIInChI=1S/C16H18FNO2/c1-2-3-9-20-15-7-8-18(16(19)11-15)12-13-5-4-6-14(17)10-13/h4-8,10-11H,2-3,9,12H2,1H3
InChIKeyZYNJDPMTHNGQTP-UHFFFAOYSA-N
MW275.32 g/mol
LogP3.21
Rot. Bonds6

About 4-butoxy-1-[(3-fluorophenyl)methyl]pyridin-2-one

4-butoxy-1-[(3-fluorophenyl)methyl]pyridin-2-one (PubChem CID 70949893) has the molecular formula C16H18FNO2 and a molecular weight of 275.32 g/mol. Its IUPAC name is 4-butoxy-1-[(3-fluorophenyl)methyl]pyridin-2-one.

Molecular Properties

Compound Name4-butoxy-1-[(3-fluorophenyl)methyl]pyridin-2-one
PubChem CID70949893
Molecular FormulaC16H18FNO2
Molecular Weight275.32 g/mol
Exact Mass275.13
IUPAC Name4-butoxy-1-[(3-fluorophenyl)methyl]pyridin-2-one
SMILESCCCCOc1ccn(Cc2cccc(F)c2)c(=O)c1
InChIInChI=1S/C16H18FNO2/c1-2-3-9-20-15-7-8-18(16(19)11-15)12-13-5-4-6-14(17)10-13/h4-8,10-11H,2-3,9,12H2,1H3
InChIKeyZYNJDPMTHNGQTP-UHFFFAOYSA-N
XLogP3.21
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 53.21
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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Frequently Asked Questions

What is the IUPAC name of 4-butoxy-1-[(3-fluorophenyl)methyl]pyridin-2-one?
The IUPAC name of 4-butoxy-1-[(3-fluorophenyl)methyl]pyridin-2-one (CID 70949893) is 4-butoxy-1-[(3-fluorophenyl)methyl]pyridin-2-one.
What is the SMILES notation for 4-butoxy-1-[(3-fluorophenyl)methyl]pyridin-2-one?
The canonical SMILES for 4-butoxy-1-[(3-fluorophenyl)methyl]pyridin-2-one is CCCCOc1ccn(Cc2cccc(F)c2)c(=O)c1.
What is the InChIKey of 4-butoxy-1-[(3-fluorophenyl)methyl]pyridin-2-one?
The InChIKey is ZYNJDPMTHNGQTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO2/c1-2-3-9-20-15-7-8-18(16(19)11-15)12-13-5-4-6-14(17)10-13/h4-8,10-11H,2-3,9,12H2,1H3.
What are the key properties of 4-butoxy-1-[(3-fluorophenyl)methyl]pyridin-2-one?
4-butoxy-1-[(3-fluorophenyl)methyl]pyridin-2-one has a molecular weight of 275.32 g/mol, XLogP of 3.21, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-1-[(3-fluorophenyl)methyl]pyridin-2-one is sourced from PubChem (CID 70949893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).