4-fluoro-1,3,6-trimethylpyridin-2-one

C8H10FNO — CID 22890216

IUPAC4-fluoro-1,3,6-trimethylpyridin-2-one
SMILESCc1c(F)cc(C)n(C)c1=O
InChIInChI=1S/C8H10FNO/c1-5-4-7(9)6(2)8(11)10(5)3/h4H,1-3H3
InChIKeyQAFSQTOXPNDNDC-UHFFFAOYSA-N
MW155.17 g/mol
LogP1.14
Rot. Bonds

About 4-fluoro-1,3,6-trimethylpyridin-2-one

4-fluoro-1,3,6-trimethylpyridin-2-one (PubChem CID 22890216) has the molecular formula C8H10FNO and a molecular weight of 155.17 g/mol. Its IUPAC name is 4-fluoro-1,3,6-trimethylpyridin-2-one.

Molecular Properties

Compound Name4-fluoro-1,3,6-trimethylpyridin-2-one
PubChem CID22890216
Molecular FormulaC8H10FNO
Molecular Weight155.17 g/mol
Exact Mass155.07
IUPAC Name4-fluoro-1,3,6-trimethylpyridin-2-one
SMILESCc1c(F)cc(C)n(C)c1=O
InChIInChI=1S/C8H10FNO/c1-5-4-7(9)6(2)8(11)10(5)3/h4H,1-3H3
InChIKeyQAFSQTOXPNDNDC-UHFFFAOYSA-N
XLogP1.14
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.17
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1,3,6-trimethylpyridin-2-one?
The IUPAC name of 4-fluoro-1,3,6-trimethylpyridin-2-one (CID 22890216) is 4-fluoro-1,3,6-trimethylpyridin-2-one.
What is the SMILES notation for 4-fluoro-1,3,6-trimethylpyridin-2-one?
The canonical SMILES for 4-fluoro-1,3,6-trimethylpyridin-2-one is Cc1c(F)cc(C)n(C)c1=O.
What is the InChIKey of 4-fluoro-1,3,6-trimethylpyridin-2-one?
The InChIKey is QAFSQTOXPNDNDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FNO/c1-5-4-7(9)6(2)8(11)10(5)3/h4H,1-3H3.
What are the key properties of 4-fluoro-1,3,6-trimethylpyridin-2-one?
4-fluoro-1,3,6-trimethylpyridin-2-one has a molecular weight of 155.17 g/mol, XLogP of 1.14, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1,3,6-trimethylpyridin-2-one is sourced from PubChem (CID 22890216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).