2-(5-fluoro-2-methoxy-4-pyridinyl)hexan-3-one

C12H16FNO2 — CID 171632811

IUPAC2-(5-fluoro-2-methoxy-4-pyridinyl)hexan-3-one
SMILESCCCC(=O)C(C)c1cc(OC)ncc1F
InChIInChI=1S/C12H16FNO2/c1-4-5-11(15)8(2)9-6-12(16-3)14-7-10(9)13/h6-8H,4-5H2,1-3H3
InChIKeyFOLGQVCESNKGJC-UHFFFAOYSA-N
MW225.26 g/mol
LogP2.70
Rot. Bonds5

About 2-(5-fluoro-2-methoxy-4-pyridinyl)hexan-3-one

2-(5-fluoro-2-methoxy-4-pyridinyl)hexan-3-one (PubChem CID 171632811) has the molecular formula C12H16FNO2 and a molecular weight of 225.26 g/mol. Its IUPAC name is 2-(5-fluoro-2-methoxy-4-pyridinyl)hexan-3-one.

Molecular Properties

Compound Name2-(5-fluoro-2-methoxy-4-pyridinyl)hexan-3-one
PubChem CID171632811
Molecular FormulaC12H16FNO2
Molecular Weight225.26 g/mol
Exact Mass225.12
IUPAC Name2-(5-fluoro-2-methoxy-4-pyridinyl)hexan-3-one
SMILESCCCC(=O)C(C)c1cc(OC)ncc1F
InChIInChI=1S/C12H16FNO2/c1-4-5-11(15)8(2)9-6-12(16-3)14-7-10(9)13/h6-8H,4-5H2,1-3H3
InChIKeyFOLGQVCESNKGJC-UHFFFAOYSA-N
XLogP2.70
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.26
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-methoxy-4-pyridinyl)hexan-3-one?
The IUPAC name of 2-(5-fluoro-2-methoxy-4-pyridinyl)hexan-3-one (CID 171632811) is 2-(5-fluoro-2-methoxy-4-pyridinyl)hexan-3-one.
What is the SMILES notation for 2-(5-fluoro-2-methoxy-4-pyridinyl)hexan-3-one?
The canonical SMILES for 2-(5-fluoro-2-methoxy-4-pyridinyl)hexan-3-one is CCCC(=O)C(C)c1cc(OC)ncc1F.
What is the InChIKey of 2-(5-fluoro-2-methoxy-4-pyridinyl)hexan-3-one?
The InChIKey is FOLGQVCESNKGJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO2/c1-4-5-11(15)8(2)9-6-12(16-3)14-7-10(9)13/h6-8H,4-5H2,1-3H3.
What are the key properties of 2-(5-fluoro-2-methoxy-4-pyridinyl)hexan-3-one?
2-(5-fluoro-2-methoxy-4-pyridinyl)hexan-3-one has a molecular weight of 225.26 g/mol, XLogP of 2.70, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-methoxy-4-pyridinyl)hexan-3-one is sourced from PubChem (CID 171632811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).