1-[5-fluoro-2-[(6-methyl-3-pyridinyl)oxy]phenyl]ethanone

C14H12FNO2 — CID 62073432

IUPAC1-[5-fluoro-2-[(6-methyl-3-pyridinyl)oxy]phenyl]ethanone
SMILESCC(=O)c1cc(F)ccc1Oc1ccc(C)nc1
InChIInChI=1S/C14H12FNO2/c1-9-3-5-12(8-16-9)18-14-6-4-11(15)7-13(14)10(2)17/h3-8H,1-2H3
InChIKeyOJCNMSDUIWHLIW-UHFFFAOYSA-N
MW245.25 g/mol
LogP3.52
Rot. Bonds3

About 1-[5-fluoro-2-[(6-methyl-3-pyridinyl)oxy]phenyl]ethanone

1-[5-fluoro-2-[(6-methyl-3-pyridinyl)oxy]phenyl]ethanone (PubChem CID 62073432) has the molecular formula C14H12FNO2 and a molecular weight of 245.25 g/mol. Its IUPAC name is 1-[5-fluoro-2-[(6-methyl-3-pyridinyl)oxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[5-fluoro-2-[(6-methyl-3-pyridinyl)oxy]phenyl]ethanone
PubChem CID62073432
Molecular FormulaC14H12FNO2
Molecular Weight245.25 g/mol
Exact Mass245.09
IUPAC Name1-[5-fluoro-2-[(6-methyl-3-pyridinyl)oxy]phenyl]ethanone
SMILESCC(=O)c1cc(F)ccc1Oc1ccc(C)nc1
InChIInChI=1S/C14H12FNO2/c1-9-3-5-12(8-16-9)18-14-6-4-11(15)7-13(14)10(2)17/h3-8H,1-2H3
InChIKeyOJCNMSDUIWHLIW-UHFFFAOYSA-N
XLogP3.52
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.25
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-fluoro-2-(4-fluorophenoxy)phenyl]ethanone
CID 14797581
N-[[5-fluoro-2-[(6-methyl-3-pyridinyl)oxy]phenyl]methyl]ethanamine
CID 62073087
[5-fluoro-2-[(6-methyl-3-pyridinyl)oxy]phenyl]methanamine
CID 55031409
1-[2-(3-bromo-4-fluorophenoxy)-5-fluorophenyl]ethanone
CID 83234460
1-[5-fluoro-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)phenyl]ethanone
CID 63531904
1-[5-fluoro-2-[2-(4-fluorophenoxy)ethoxy]phenyl]ethanone
CID 112787668
1-[5-bromo-2-(4-fluorophenoxy)phenyl]ethanone
CID 82966681
1-[5-fluoro-2-[4-(2-methoxyethyl)phenoxy]phenyl]ethanone
CID 43244939
2-amino-4-fluoro-5-[(6-methyl-3-pyridinyl)oxy]benzamide
CID 62059169
5-fluoro-2-[(6-methyl-3-pyridinyl)oxymethyl]benzoic acid
CID 55173092
1-[5-fluoro-2-[3-(4-fluorophenoxy)propoxy]phenyl]ethanone
CID 112769767
1-[5-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]ethanone
CID 83119787

Frequently Asked Questions

What is the IUPAC name of 1-[5-fluoro-2-[(6-methyl-3-pyridinyl)oxy]phenyl]ethanone?
The IUPAC name of 1-[5-fluoro-2-[(6-methyl-3-pyridinyl)oxy]phenyl]ethanone (CID 62073432) is 1-[5-fluoro-2-[(6-methyl-3-pyridinyl)oxy]phenyl]ethanone.
What is the SMILES notation for 1-[5-fluoro-2-[(6-methyl-3-pyridinyl)oxy]phenyl]ethanone?
The canonical SMILES for 1-[5-fluoro-2-[(6-methyl-3-pyridinyl)oxy]phenyl]ethanone is CC(=O)c1cc(F)ccc1Oc1ccc(C)nc1.
What is the InChIKey of 1-[5-fluoro-2-[(6-methyl-3-pyridinyl)oxy]phenyl]ethanone?
The InChIKey is OJCNMSDUIWHLIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO2/c1-9-3-5-12(8-16-9)18-14-6-4-11(15)7-13(14)10(2)17/h3-8H,1-2H3.
What are the key properties of 1-[5-fluoro-2-[(6-methyl-3-pyridinyl)oxy]phenyl]ethanone?
1-[5-fluoro-2-[(6-methyl-3-pyridinyl)oxy]phenyl]ethanone has a molecular weight of 245.25 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-fluoro-2-[(6-methyl-3-pyridinyl)oxy]phenyl]ethanone is sourced from PubChem (CID 62073432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).