3-fluoro-2,6-dimethyl-1H-pyridin-4-one

C7H8FNO — CID 24971814

IUPAC3-fluoro-2,6-dimethyl-1H-pyridin-4-one
SMILESCc1cc(=O)c(F)c(C)[nH]1
InChIInChI=1S/C7H8FNO/c1-4-3-6(10)7(8)5(2)9-4/h3H,1-2H3,(H,9,10)
InChIKeyPBEYVPDBACMUBQ-UHFFFAOYSA-N
MW141.14 g/mol
LogP1.13
Rot. Bonds

About 3-fluoro-2,6-dimethyl-1H-pyridin-4-one

3-fluoro-2,6-dimethyl-1H-pyridin-4-one (PubChem CID 24971814) has the molecular formula C7H8FNO and a molecular weight of 141.14 g/mol. Its IUPAC name is 3-fluoro-2,6-dimethyl-1H-pyridin-4-one.

Molecular Properties

Compound Name3-fluoro-2,6-dimethyl-1H-pyridin-4-one
PubChem CID24971814
Molecular FormulaC7H8FNO
Molecular Weight141.14 g/mol
Exact Mass141.06
IUPAC Name3-fluoro-2,6-dimethyl-1H-pyridin-4-one
SMILESCc1cc(=O)c(F)c(C)[nH]1
InChIInChI=1S/C7H8FNO/c1-4-3-6(10)7(8)5(2)9-4/h3H,1-2H3,(H,9,10)
InChIKeyPBEYVPDBACMUBQ-UHFFFAOYSA-N
XLogP1.13
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.14
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,6-Dimethyl-4-pyridinol
CID 83609
(3Z)-4-Amino-3-penten-2-one
CID 5355751
4-Amino-3-penten-2-one
CID 136873
3-Amino-2,6-dimethylpyridin-4-ol
CID 586556
(3E)-4-Amino-3-penten-2-one
CID 5367854
(Z)-4-(methylamino)pent-3-en-2-one
CID 5379102
4-Ethylaminopent-3-EN-2-one
CID 11804773
2,3,6-Trimethylpyridin-4-ol
CID 45079754
(z)-1,1,1-Trifluoro-4-methylamino-3-penten-2-one
CID 45120065
(z)-4-Ethylamino-1,1,1-trifluoro-3-penten-2-one
CID 129706900
(3Z)-4-Amino-1,1,1-trifluoropent-3-en-2-one
CID 12586193
4-Amino-1,1,1-trifluoro-3-penten-2-one
CID 57366078

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2,6-dimethyl-1H-pyridin-4-one?
The IUPAC name of 3-fluoro-2,6-dimethyl-1H-pyridin-4-one (CID 24971814) is 3-fluoro-2,6-dimethyl-1H-pyridin-4-one.
What is the SMILES notation for 3-fluoro-2,6-dimethyl-1H-pyridin-4-one?
The canonical SMILES for 3-fluoro-2,6-dimethyl-1H-pyridin-4-one is Cc1cc(=O)c(F)c(C)[nH]1.
What is the InChIKey of 3-fluoro-2,6-dimethyl-1H-pyridin-4-one?
The InChIKey is PBEYVPDBACMUBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FNO/c1-4-3-6(10)7(8)5(2)9-4/h3H,1-2H3,(H,9,10).
What are the key properties of 3-fluoro-2,6-dimethyl-1H-pyridin-4-one?
3-fluoro-2,6-dimethyl-1H-pyridin-4-one has a molecular weight of 141.14 g/mol, XLogP of 1.13, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2,6-dimethyl-1H-pyridin-4-one is sourced from PubChem (CID 24971814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).